From 4339239cc576362df8dfea50c14e29eec77cd336 Mon Sep 17 00:00:00 2001 From: David A Minton Date: Thu, 12 Aug 2021 10:30:28 -0400 Subject: [PATCH 01/36] Improved file I/O error handling --- src/fragmentation/fragmentation.f90 | 2 +- src/io/io.f90 | 648 ++++++++++++++-------------- src/modules/swiftest_classes.f90 | 12 +- src/symba/symba_io.f90 | 115 +++-- src/symba/symba_setup.f90 | 2 +- src/whm/whm_setup.f90 | 2 +- 6 files changed, 377 insertions(+), 404 deletions(-) diff --git a/src/fragmentation/fragmentation.f90 b/src/fragmentation/fragmentation.f90 index 72fb82d15..90758048f 100644 --- a/src/fragmentation/fragmentation.f90 +++ b/src/fragmentation/fragmentation.f90 @@ -42,7 +42,7 @@ module subroutine fragmentation_initialize(system, param, family, x, v, L_spin, integer(I4B), parameter :: NFRAG_MIN = 7 !! The minimum allowable number of fragments (set to 6 because that's how many unknowns are needed in the tangential velocity calculation) real(DP) :: r_max_start, r_max_start_old, r_max, f_spin real(DP), parameter :: Ltol = 10 * epsilon(1.0_DP) - real(DP), parameter :: Etol = 1e-8_DP + real(DP), parameter :: Etol = 1e-6_DP integer(I4B), parameter :: MAXTRY = 3000 integer(I4B), parameter :: TANTRY = 3 logical, dimension(size(IEEE_ALL)) :: fpe_halting_modes, fpe_quiet_modes diff --git a/src/io/io.f90 b/src/io/io.f90 index ea2b695b0..c34c896a9 100644 --- a/src/io/io.f90 +++ b/src/io/io.f90 @@ -19,6 +19,7 @@ module subroutine io_conservation_report(self, param, lterminal) real(DP) :: Eorbit_error, Etotal_error, Ecoll_error real(DP) :: Mtot_now, Merror real(DP) :: Lmag_now, Lerror + character(len=STRMAX) :: errmsg character(len=*), parameter :: EGYFMT = '(ES23.16,10(",",ES23.16,:))' ! Format code for all simulation output character(len=*), parameter :: EGYHEADER = '("t,Eorbit,Ecollisions,Lx,Ly,Lz,Mtot")' integer(I4B), parameter :: EGYIU = 72 @@ -33,10 +34,10 @@ module subroutine io_conservation_report(self, param, lterminal) lfirst => param%lfirstenergy) if (param%energy_out /= "") then if (lfirst .and. (param%out_stat /= "OLD")) then - open(unit = EGYIU, file = param%energy_out, form = "formatted", status = "replace", action = "write") + open(unit = EGYIU, file = param%energy_out, form = "formatted", status = "replace", action = "write", err = 667, iomsg = errmsg) else - open(unit = EGYIU, file = param%energy_out, form = "formatted", status = "old", action = "write", position = "append") - write(EGYIU,EGYHEADER) + open(unit = EGYIU, file = param%energy_out, form = "formatted", status = "old", action = "write", position = "append", err = 667, iomsg = errmsg) + write(EGYIU,EGYHEADER, err = 667, iomsg = errmsg) end if end if call pl%h2b(cb) @@ -60,8 +61,8 @@ module subroutine io_conservation_report(self, param, lterminal) end if if (param%energy_out /= "") then - write(EGYIU,EGYFMT) param%t, Eorbit_now, Ecollisions, Ltot_now, Mtot_now - close(EGYIU) + write(EGYIU,EGYFMT, err = 667, iomsg = errmsg) param%t, Eorbit_now, Ecollisions, Ltot_now, Mtot_now + close(EGYIU, err = 667, iomsg = errmsg) end if if (.not.lfirst .and. lterminal) then Lmag_now = norm2(Ltot_now) @@ -87,8 +88,12 @@ module subroutine io_conservation_report(self, param, lterminal) Lspin_last(:) = Lspin_now(:) Ltot_last(:) = Ltot_now(:) end associate + return + 667 continue + write(*,*) "Error writing energy and momentum tracking file: " // trim(adjustl(errmsg)) + call util_exit(FAILURE) end subroutine io_conservation_report @@ -105,27 +110,22 @@ module subroutine io_dump_param(self, param_file_name) character(len=*), intent(in) :: param_file_name !! Parameter input file name (i.e. param.in) ! Internals integer(I4B), parameter :: LUN = 7 !! Unit number of output file - integer(I4B) :: ierr !! Error code - character(STRMAX) :: error_message !! Error message in UDIO procedure - - open(unit = LUN, file = param_file_name, status='replace', form = 'FORMATTED', iostat =ierr) - if (ierr /=0) then - write(*,*) 'Swiftest error.' - write(*,*) ' Could not open dump file: ',trim(adjustl(param_file_name)) - call util_exit(FAILURE) - end if - + character(STRMAX) :: errmsg !! Error message in UDIO procedure + integer(I4B) :: ierr + + open(unit = LUN, file = param_file_name, status='replace', form = 'FORMATTED', err = 667, iomsg = errmsg) !! todo: Currently this procedure does not work in user-defined derived-type input mode !! due to compiler incompatabilities !write(LUN,'(DT)') param - call self%writer(LUN, iotype = "none", v_list = [0], iostat = ierr, iomsg = error_message) - if (ierr /= 0) then - write(*,*) trim(adjustl(error_message)) - call util_exit(FAILURE) + call self%writer(LUN, iotype = "none", v_list = [0], iostat = ierr, iomsg = errmsg) + if (ierr == 0) then + close(LUN, err = 667, iomsg = errmsg) + return end if - close(LUN) - return + 667 continue + write(*,*) "Error opening parameter dump file " // trim(adjustl(errmsg)) + call util_exit(FAILURE) end subroutine io_dump_param @@ -145,6 +145,7 @@ module subroutine io_dump_swiftest(self, param) integer(I4B),parameter :: LUN = 7 !! Unit number for dump file integer(I4B) :: iu = LUN character(len=:), allocatable :: dump_file_name + character(STRMAX) :: errmsg select type(self) class is(swiftest_cb) @@ -154,16 +155,15 @@ module subroutine io_dump_swiftest(self, param) class is (swiftest_tp) dump_file_name = trim(adjustl(param%intpfile)) end select - open(unit = iu, file = dump_file_name, form = "UNFORMATTED", status = 'replace', iostat = ierr) - if (ierr /= 0) then - write(*, *) "Swiftest error:" - write(*, *) " Unable to open binary dump file " // dump_file_name - call util_exit(FAILURE) - end if + open(unit = iu, file = dump_file_name, form = "UNFORMATTED", status = 'replace', err = 667, iomsg = errmsg) call self%write_frame(iu, param) - close(LUN) + close(LUN, err = 667, iomsg = errmsg) return + + 667 continue + write(*,*) "Error dumping body data to file " // trim(adjustl(errmsg)) + call util_exit(FAILURE) end subroutine io_dump_swiftest @@ -368,11 +368,12 @@ module subroutine io_param_reader(self, unit, iotype, v_list, iostat, iomsg) character(STRMAX) :: line !! Line of the input file character (len=:), allocatable :: line_trim,param_name, param_value !! Strings used to parse the param file character(*),parameter :: linefmt = '(A)' !! Format code for simple text string + ! Parse the file line by line, extracting tokens then matching them up with known parameters if possible associate(param => self) do - read(unit = unit, fmt = linefmt, iostat = iostat, end = 1) line + read(unit = unit, fmt = linefmt, end = 1, err = 667, iomsg = iomsg) line line_trim = trim(adjustl(line)) ilength = len(line_trim) if ((ilength /= 0)) then @@ -385,13 +386,13 @@ module subroutine io_param_reader(self, unit, iotype, v_list, iostat, iomsg) param_value = io_get_token(line_trim, ifirst, ilast, iostat) select case (param_name) case ("T0") - read(param_value, *) param%t0 + read(param_value, *, err = 667, iomsg = iomsg) param%t0 t0_set = .true. case ("TSTOP") - read(param_value, *) param%tstop + read(param_value, *, err = 667, iomsg = iomsg) param%tstop tstop_set = .true. case ("DT") - read(param_value, *) param%dt + read(param_value, *, err = 667, iomsg = iomsg) param%dt dt_set = .true. case ("CB_IN") param%incbfile = param_value @@ -421,21 +422,21 @@ module subroutine io_param_reader(self, unit, iotype, v_list, iostat, iomsg) call io_toupper(param_value) if (param_value == "YES" .or. param_value == 'T') param%lclose = .true. case ("CHK_RMIN") - read(param_value, *) param%rmin + read(param_value, *, err = 667, iomsg = iomsg) param%rmin case ("CHK_RMAX") - read(param_value, *) param%rmax + read(param_value, *, err = 667, iomsg = iomsg) param%rmax case ("CHK_EJECT") - read(param_value, *) param%rmaxu + read(param_value, *, err = 667, iomsg = iomsg) param%rmaxu case ("CHK_QMIN") - read(param_value, *) param%qmin + read(param_value, *, err = 667, iomsg = iomsg) param%qmin case ("CHK_QMIN_COORD") call io_toupper(param_value) param%qmin_coord = param_value case ("CHK_QMIN_RANGE") - read(param_value, *) param%qmin_alo + read(param_value, *, err = 667, iomsg = iomsg) param%qmin_alo ifirst = ilast + 1 param_value = io_get_token(line, ifirst, ilast, iostat) - read(param_value, *) param%qmin_ahi + read(param_value, *, err = 667, iomsg = iomsg) param%qmin_ahi case ("ENC_OUT") param%enc_out = param_value case ("DISCARD_OUT") @@ -452,11 +453,11 @@ module subroutine io_param_reader(self, unit, iotype, v_list, iostat, iomsg) call io_toupper(param_value) if (param_value == "YES" .or. param_value == 'T' ) param%lrhill_present = .true. case ("MU2KG") - read(param_value, *) param%MU2KG + read(param_value, *, err = 667, iomsg = iomsg) param%MU2KG case ("TU2S") - read(param_value, *) param%TU2S + read(param_value, *, err = 667, iomsg = iomsg) param%TU2S case ("DU2M") - read(param_value, *) param%DU2M + read(param_value, *, err = 667, iomsg = iomsg) param%DU2M case ("ENERGY") call io_toupper(param_value) if (param_value == "YES" .or. param_value == 'T') param%lenergy = .true. @@ -476,44 +477,44 @@ module subroutine io_param_reader(self, unit, iotype, v_list, iostat, iomsg) call io_toupper(param_value) if (param_value == "NO" .or. param_value == 'F') param%lfirstenergy = .false. case("EORBIT_ORIG") - read(param_value, *) param%Eorbit_orig + read(param_value, *, err = 667, iomsg = iomsg) param%Eorbit_orig case("MTOT_ORIG") - read(param_value, *) param%Mtot_orig + read(param_value, *, err = 667, iomsg = iomsg) param%Mtot_orig case("LTOT_ORIG") - read(param_value, *) param%Ltot_orig(1) + read(param_value, *, err = 667, iomsg = iomsg) param%Ltot_orig(1) do i = 2, NDIM ifirst = ilast + 1 param_value = io_get_token(line, ifirst, ilast, iostat) - read(param_value, *) param%Ltot_orig(i) + read(param_value, *, err = 667, iomsg = iomsg) param%Ltot_orig(i) end do param%Lmag_orig = norm2(param%Ltot_orig(:)) case("LORBIT_ORIG") - read(param_value, *) param%Lorbit_orig(1) + read(param_value, *, err = 667, iomsg = iomsg) param%Lorbit_orig(1) do i = 2, NDIM ifirst = ilast + 1 param_value = io_get_token(line, ifirst, ilast, iostat) - read(param_value, *) param%Lorbit_orig(i) + read(param_value, *, err = 667, iomsg = iomsg) param%Lorbit_orig(i) end do case("LSPIN_ORIG") - read(param_value, *) param%Lspin_orig(1) + read(param_value, *, err = 667, iomsg = iomsg) param%Lspin_orig(1) do i = 2, NDIM ifirst = ilast + 1 param_value = io_get_token(line, ifirst, ilast, iostat) - read(param_value, *) param%Lspin_orig(i) + read(param_value, *, err = 667, iomsg = iomsg) param%Lspin_orig(i) end do case("LESCAPE") - read(param_value, *) param%Lescape(1) + read(param_value, *, err = 667, iomsg = iomsg) param%Lescape(1) do i = 2, NDIM ifirst = ilast + 1 param_value = io_get_token(line, ifirst, ilast, iostat) - read(param_value, *) param%Lescape(i) + read(param_value, *, err = 667, iomsg = iomsg) param%Lescape(i) end do case("MESCAPE") - read(param_value, *) param%Mescape + read(param_value, *, err = 667, iomsg = iomsg) param%Mescape case("ECOLLISIONS") - read(param_value, *) param%Ecollisions + read(param_value, *, err = 667, iomsg = iomsg) param%Ecollisions case("EUNTRACKED") - read(param_value, *) param%Euntracked + read(param_value, *, err = 667, iomsg = iomsg) param%Euntracked case ("NPLMAX", "NTPMAX", "GMTINY", "PARTICLE_OUT", "FRAGMENTATION", "SEED", "YARKOVSKY", "YORP") ! Ignore SyMBA-specific, not-yet-implemented, or obsolete input parameters case default write(iomsg,*) "Unknown parameter -> ",param_name @@ -674,6 +675,7 @@ module subroutine io_param_reader(self, unit, iotype, v_list, iostat, iomsg) iostat = 0 end associate + 667 continue return end subroutine io_param_reader @@ -708,67 +710,67 @@ module subroutine io_param_writer(self, unit, iotype, v_list, iostat, iomsg) integer(I4B) :: i associate(param => self) - write(param_name, Afmt) "T0"; write(param_value,Rfmt) param%t0; write(unit, Afmt) adjustl(param_name), adjustl(param_value) - write(param_name, Afmt) "TSTOP"; write(param_value, Rfmt) param%tstop; write(unit, Afmt) adjustl(param_name), adjustl(param_value) - write(param_name, Afmt) "DT"; write(param_value, Rfmt) param%dt; write(unit, Afmt) adjustl(param_name), adjustl(param_value) - write(param_name, Afmt) "PL_IN"; write(param_value, Afmt) trim(adjustl(param%inplfile)); write(unit, Afmt) adjustl(param_name), adjustl(param_value) - write(param_name, Afmt) "TP_in"; write(param_value, Afmt) trim(adjustl(param%intpfile)); write(unit, Afmt) adjustl(param_name), adjustl(param_value) - write(param_name, Afmt) "IN_TYPE"; write(param_value, Afmt) trim(adjustl(param%in_type)); write(unit, Afmt) adjustl(param_name), adjustl(param_value) + write(param_name, Afmt) "T0"; write(param_value,Rfmt) param%t0; write(unit, Afmt, err = 667, iomsg = iomsg) adjustl(param_name), adjustl(param_value) + write(param_name, Afmt) "TSTOP"; write(param_value, Rfmt) param%tstop; write(unit, Afmt, err = 667, iomsg = iomsg) adjustl(param_name), adjustl(param_value) + write(param_name, Afmt) "DT"; write(param_value, Rfmt) param%dt; write(unit, Afmt, err = 667, iomsg = iomsg) adjustl(param_name), adjustl(param_value) + write(param_name, Afmt) "PL_IN"; write(param_value, Afmt) trim(adjustl(param%inplfile)); write(unit, Afmt, err = 667, iomsg = iomsg) adjustl(param_name), adjustl(param_value) + write(param_name, Afmt) "TP_in"; write(param_value, Afmt) trim(adjustl(param%intpfile)); write(unit, Afmt, err = 667, iomsg = iomsg) adjustl(param_name), adjustl(param_value) + write(param_name, Afmt) "IN_TYPE"; write(param_value, Afmt) trim(adjustl(param%in_type)); write(unit, Afmt, err = 667, iomsg = iomsg) adjustl(param_name), adjustl(param_value) if (param%istep_out > 0) then - write(param_name, Afmt) "ISTEP_OUT"; write(param_value, Ifmt) param%istep_out; write(unit, Afmt) adjustl(param_name), adjustl(param_value) - write(param_name, Afmt) "BIN_OUT"; write(param_value, Afmt) trim(adjustl(param%outfile)); write(unit, Afmt) adjustl(param_name), adjustl(param_value) - write(param_name, Afmt) "OUT_TYPE"; write(param_value, Afmt) trim(adjustl(param%out_type)); write(unit, Afmt) adjustl(param_name), adjustl(param_value) - write(param_name, Afmt) "OUT_FORM"; write(param_value, Afmt) trim(adjustl(param%out_form)); write(unit, Afmt) adjustl(param_name), adjustl(param_value) - write(param_name, Afmt) "OUT_STAT"; write(param_value, Afmt) "APPEND"; write(unit, Afmt) adjustl(param_name), adjustl(param_value) + write(param_name, Afmt) "ISTEP_OUT"; write(param_value, Ifmt) param%istep_out; write(unit, Afmt, err = 667, iomsg = iomsg) adjustl(param_name), adjustl(param_value) + write(param_name, Afmt) "BIN_OUT"; write(param_value, Afmt) trim(adjustl(param%outfile)); write(unit, Afmt, err = 667, iomsg = iomsg) adjustl(param_name), adjustl(param_value) + write(param_name, Afmt) "OUT_TYPE"; write(param_value, Afmt) trim(adjustl(param%out_type)); write(unit, Afmt, err = 667, iomsg = iomsg) adjustl(param_name), adjustl(param_value) + write(param_name, Afmt) "OUT_FORM"; write(param_value, Afmt) trim(adjustl(param%out_form)); write(unit, Afmt, err = 667, iomsg = iomsg) adjustl(param_name), adjustl(param_value) + write(param_name, Afmt) "OUT_STAT"; write(param_value, Afmt) "APPEND"; write(unit, Afmt, err = 667, iomsg = iomsg) adjustl(param_name), adjustl(param_value) end if - write(param_name, Afmt) "ENC_OUT"; write(param_value, Afmt) trim(adjustl(param%enc_out)); write(unit, Afmt) adjustl(param_name), adjustl(param_value) + write(param_name, Afmt) "ENC_OUT"; write(param_value, Afmt) trim(adjustl(param%enc_out)); write(unit, Afmt, err = 667, iomsg = iomsg) adjustl(param_name), adjustl(param_value) if (param%istep_dump > 0) then - write(param_name, Afmt) "ISTEP_DUMP"; write(param_value, Ifmt) param%istep_dump; write(unit, Afmt) adjustl(param_name), adjustl(param_value) + write(param_name, Afmt) "ISTEP_DUMP"; write(param_value, Ifmt) param%istep_dump; write(unit, Afmt, err = 667, iomsg = iomsg) adjustl(param_name), adjustl(param_value) end if - write(param_name, Afmt) "CHK_RMIN"; write(param_value, Rfmt) param%rmin; write(unit, Afmt) adjustl(param_name), adjustl(param_value) - write(param_name, Afmt) "CHK_RMAX"; write(param_value, Rfmt) param%rmax; write(unit, Afmt) adjustl(param_name), adjustl(param_value) - write(param_name, Afmt) "CHK_EJECT"; write(param_value, Rfmt) param%rmaxu; write(unit, Afmt) adjustl(param_name), adjustl(param_value) - write(param_name, Afmt) "CHK_QMIN"; write(param_value, Rfmt) param%qmin; write(unit, Afmt) adjustl(param_name), adjustl(param_value) + write(param_name, Afmt) "CHK_RMIN"; write(param_value, Rfmt) param%rmin; write(unit, Afmt, err = 667, iomsg = iomsg) adjustl(param_name), adjustl(param_value) + write(param_name, Afmt) "CHK_RMAX"; write(param_value, Rfmt) param%rmax; write(unit, Afmt, err = 667, iomsg = iomsg) adjustl(param_name), adjustl(param_value) + write(param_name, Afmt) "CHK_EJECT"; write(param_value, Rfmt) param%rmaxu; write(unit, Afmt, err = 667, iomsg = iomsg) adjustl(param_name), adjustl(param_value) + write(param_name, Afmt) "CHK_QMIN"; write(param_value, Rfmt) param%qmin; write(unit, Afmt, err = 667, iomsg = iomsg) adjustl(param_name), adjustl(param_value) if (param%qmin >= 0.0_DP) then - write(param_name, Afmt) "CHK_QMIN_COORD"; write(param_value, Afmt) trim(adjustl(param%qmin_coord)); write(unit, Afmt) adjustl(param_name), adjustl(param_value) + write(param_name, Afmt) "CHK_QMIN_COORD"; write(param_value, Afmt) trim(adjustl(param%qmin_coord)); write(unit, Afmt, err = 667, iomsg = iomsg) adjustl(param_name), adjustl(param_value) allocate(param_array(2)) write(param_array(1)%value, Rfmt) param%qmin_alo write(param_array(2)%value, Rfmt) param%qmin_ahi - write(param_name, Afmt) "CHK_QMIN_RANGE"; write(unit, Afmt) adjustl(param_name), adjustl(param_array(1)%value), adjustl(param_array(2)%value) + write(param_name, Afmt) "CHK_QMIN_RANGE"; write(unit, Afmt, err = 667, iomsg = iomsg) adjustl(param_name), adjustl(param_array(1)%value), adjustl(param_array(2)%value) end if - write(param_name, Afmt) "MU2KG"; write(param_value, Rfmt) param%MU2KG; write(unit, Afmt) adjustl(param_name), adjustl(param_value) - write(param_name, Afmt) "TU2S"; write(param_value, Rfmt) param%TU2S ; write(unit, Afmt) adjustl(param_name), adjustl(param_value) - write(param_name, Afmt) "DU2M"; write(param_value, Rfmt) param%DU2M; write(unit, Afmt) adjustl(param_name), adjustl(param_value) - write(param_name, Afmt) "RHILL_PRESENT"; write(param_value, Lfmt) param%lrhill_present; write(unit, Afmt) adjustl(param_name), adjustl(param_value) - write(param_name, Afmt) "EXTRA_FORCE"; write(param_value, Lfmt) param%lextra_force; write(unit, Afmt) adjustl(param_name), adjustl(param_value) - write(param_name, Afmt) "BIG_DISCARD"; write(param_value, Lfmt) param%lbig_discard; write(unit, Afmt) adjustl(param_name), adjustl(param_value) - write(param_name, Afmt) "CHK_CLOSE"; write(param_value, Lfmt) param%lclose; write(unit, Afmt) adjustl(param_name), adjustl(param_value) - write(param_name, Afmt) "ENERGY"; write(param_value, Lfmt) param%lenergy; write(unit, Afmt) adjustl(param_name), adjustl(param_value) - write(param_name, Afmt) "GR"; write(param_value, Lfmt) param%lgr; write(unit, Afmt) adjustl(param_name), adjustl(param_value) - write(param_name, Afmt) "ROTATION"; write(param_value, Lfmt) param%lrotation; write(unit, Afmt) adjustl(param_name), adjustl(param_value) - write(param_name, Afmt) "TIDES"; write(param_value, Lfmt) param%ltides; write(unit, Afmt) adjustl(param_name), adjustl(param_value) + write(param_name, Afmt) "MU2KG"; write(param_value, Rfmt) param%MU2KG; write(unit, Afmt, err = 667, iomsg = iomsg) adjustl(param_name), adjustl(param_value) + write(param_name, Afmt) "TU2S"; write(param_value, Rfmt) param%TU2S ; write(unit, Afmt, err = 667, iomsg = iomsg) adjustl(param_name), adjustl(param_value) + write(param_name, Afmt) "DU2M"; write(param_value, Rfmt) param%DU2M; write(unit, Afmt, err = 667, iomsg = iomsg) adjustl(param_name), adjustl(param_value) + write(param_name, Afmt) "RHILL_PRESENT"; write(param_value, Lfmt) param%lrhill_present; write(unit, Afmt, err = 667, iomsg = iomsg) adjustl(param_name), adjustl(param_value) + write(param_name, Afmt) "EXTRA_FORCE"; write(param_value, Lfmt) param%lextra_force; write(unit, Afmt, err = 667, iomsg = iomsg) adjustl(param_name), adjustl(param_value) + write(param_name, Afmt) "BIG_DISCARD"; write(param_value, Lfmt) param%lbig_discard; write(unit, Afmt, err = 667, iomsg = iomsg) adjustl(param_name), adjustl(param_value) + write(param_name, Afmt) "CHK_CLOSE"; write(param_value, Lfmt) param%lclose; write(unit, Afmt, err = 667, iomsg = iomsg) adjustl(param_name), adjustl(param_value) + write(param_name, Afmt) "ENERGY"; write(param_value, Lfmt) param%lenergy; write(unit, Afmt, err = 667, iomsg = iomsg) adjustl(param_name), adjustl(param_value) + write(param_name, Afmt) "GR"; write(param_value, Lfmt) param%lgr; write(unit, Afmt, err = 667, iomsg = iomsg) adjustl(param_name), adjustl(param_value) + write(param_name, Afmt) "ROTATION"; write(param_value, Lfmt) param%lrotation; write(unit, Afmt, err = 667, iomsg = iomsg) adjustl(param_name), adjustl(param_value) + write(param_name, Afmt) "TIDES"; write(param_value, Lfmt) param%ltides; write(unit, Afmt, err = 667, iomsg = iomsg) adjustl(param_name), adjustl(param_value) if (param%lenergy) then - write(param_name, Afmt) "FIRSTENERGY"; write(param_value, Lfmt) param%lfirstenergy; write(unit, Afmt) adjustl(param_name), adjustl(param_value) - write(param_name, Afmt) "EORBIT_ORIG"; write(param_value, Rfmt) param%Eorbit_orig; write(unit, Afmt) adjustl(param_name), adjustl(param_value) - write(param_name, Afmt) "MTOT_ORIG"; write(param_value, Rfmt) param%Mtot_orig; write(unit, Afmt) adjustl(param_name), adjustl(param_value) + write(param_name, Afmt) "FIRSTENERGY"; write(param_value, Lfmt) param%lfirstenergy; write(unit, Afmt, err = 667, iomsg = iomsg) adjustl(param_name), adjustl(param_value) + write(param_name, Afmt) "EORBIT_ORIG"; write(param_value, Rfmt) param%Eorbit_orig; write(unit, Afmt, err = 667, iomsg = iomsg) adjustl(param_name), adjustl(param_value) + write(param_name, Afmt) "MTOT_ORIG"; write(param_value, Rfmt) param%Mtot_orig; write(unit, Afmt, err = 667, iomsg = iomsg) adjustl(param_name), adjustl(param_value) write(unit, '("LTOT_ORIG ",3(1X,ES25.17))') param%Ltot_orig(:) write(unit, '("LORBIT_ORIG",3(1X,ES25.17))') param%Lorbit_orig(:) write(unit, '("LSPIN_ORIG ",3(1X,ES25.17))') param%Lspin_orig(:) write(unit, '("LESCAPE ",3(1X,ES25.17))') param%Lescape(:) - write(param_name, Afmt) "MESCAPE"; write(param_value, Rfmt) param%Mescape; write(unit, Afmt) adjustl(param_name), adjustl(param_value) - write(param_name, Afmt) "ECOLLISIONS"; write(param_value, Rfmt) param%Ecollisions; write(unit, Afmt) adjustl(param_name), adjustl(param_value) - write(param_name, Afmt) "EUNTRACKED"; write(param_value, Rfmt) param%Euntracked; write(unit, Afmt) adjustl(param_name), adjustl(param_value) + write(param_name, Afmt) "MESCAPE"; write(param_value, Rfmt) param%Mescape; write(unit, Afmt, err = 667, iomsg = iomsg) adjustl(param_name), adjustl(param_value) + write(param_name, Afmt) "ECOLLISIONS"; write(param_value, Rfmt) param%Ecollisions; write(unit, Afmt, err = 667, iomsg = iomsg) adjustl(param_name), adjustl(param_value) + write(param_name, Afmt) "EUNTRACKED"; write(param_value, Rfmt) param%Euntracked; write(unit, Afmt, err = 667, iomsg = iomsg) adjustl(param_name), adjustl(param_value) end if - write(param_name, Afmt) "FIRSTKICK"; write(param_value, Lfmt) param%lfirstkick; write(unit, Afmt) adjustl(param_name), adjustl(param_value) + write(param_name, Afmt) "FIRSTKICK"; write(param_value, Lfmt) param%lfirstkick; write(unit, Afmt, err = 667, iomsg = iomsg) adjustl(param_name), adjustl(param_value) - - iostat = 0 iomsg = "UDIO not implemented" end associate + 667 continue + return end subroutine io_param_writer @@ -787,11 +789,12 @@ module subroutine io_read_body_in(self, param) ! Internals integer(I4B), parameter :: LUN = 7 !! Unit number of input file integer(I4B) :: iu = LUN - integer(I4B) :: i, ierr, nbody + integer(I4B) :: i, nbody logical :: is_ascii, is_pl character(len=:), allocatable :: infile real(DP) :: t real(QP) :: val + character(STRMAX) :: errmsg ! Select the appropriate polymorphic class (test particle or massive body) select type(self) @@ -803,39 +806,38 @@ module subroutine io_read_body_in(self, param) is_pl = .false. end select - ierr = 0 is_ascii = (param%in_type == 'ASCII') select case(param%in_type) case(ASCII_TYPE) - open(unit = iu, file = infile, status = 'old', form = 'FORMATTED', iostat = ierr) - read(iu, *, iostat = ierr) nbody + open(unit = iu, file = infile, status = 'old', form = 'FORMATTED', err = 667, iomsg = errmsg) + read(iu, *, err = 667, iomsg = errmsg) nbody call self%setup(nbody, param) if (nbody > 0) then do i = 1, nbody select type(self) class is (swiftest_pl) if (param%lrhill_present) then - read(iu, *, iostat=ierr, err=100) self%id(i), val, self%rhill(i) + read(iu, *, err = 667, iomsg = errmsg) self%id(i), val, self%rhill(i) else - read(iu, *, iostat=ierr, err=100) self%id(i), val + read(iu, *, err = 667, iomsg = errmsg) self%id(i), val end if self%Gmass(i) = real(val, kind=DP) self%mass(i) = real(val / param%GU, kind=DP) - if (param%lclose) read(iu, *, iostat=ierr, err=100) self%radius(i) + if (param%lclose) read(iu, *, err = 667, iomsg = errmsg) self%radius(i) class is (swiftest_tp) - read(iu, *, iostat=ierr, err=100) self%id(i) + read(iu, *, err = 667, iomsg = errmsg) self%id(i) end select - read(iu, *, iostat=ierr, err=100) self%xh(1, i), self%xh(2, i), self%xh(3, i) - read(iu, *, iostat=ierr, err=100) self%vh(1, i), self%vh(2, i), self%vh(3, i) + read(iu, *, err = 667, iomsg = errmsg) self%xh(1, i), self%xh(2, i), self%xh(3, i) + read(iu, *, err = 667, iomsg = errmsg) self%vh(1, i), self%vh(2, i), self%vh(3, i) select type (self) class is (swiftest_pl) if (param%lrotation) then - read(iu, *, iostat=ierr, err=100) self%Ip(1, i), self%Ip(2, i), self%Ip(3, i) - read(iu, *, iostat=ierr, err=100) self%rot(1, i), self%rot(2, i), self%rot(3, i) + read(iu, *, err = 667, iomsg = errmsg) self%Ip(1, i), self%Ip(2, i), self%Ip(3, i) + read(iu, *, err = 667, iomsg = errmsg) self%rot(1, i), self%rot(2, i), self%rot(3, i) end if if (param%ltides) then - read(iu, *, iostat=ierr, err=100) self%k2(i) - read(iu, *, iostat=ierr, err=100) self%Q(i) + read(iu, *, err = 667, iomsg = errmsg) self%k2(i) + read(iu, *, err = 667, iomsg = errmsg) self%Q(i) end if end select self%status(i) = ACTIVE @@ -843,25 +845,24 @@ module subroutine io_read_body_in(self, param) end do end if case (REAL4_TYPE, REAL8_TYPE) !, SWIFTER_REAL4_TYPE, SWIFTER_REAL8_TYPE) - open(unit=iu, file=infile, status='old', form='UNFORMATTED', iostat=ierr) - read(iu, iostat=ierr, err=100) nbody + open(unit=iu, file=infile, status='old', form='UNFORMATTED', err = 667, iomsg = errmsg) + read(iu, err = 667, iomsg = errmsg) nbody call self%setup(nbody, param) if (nbody > 0) then - call self%read_frame(iu, param, XV, ierr) + call self%read_frame(iu, param, XV) self%status(:) = ACTIVE self%lmask(:) = .true. end if case default - write(*,*) trim(adjustl(param%in_type)) // ' is an unrecognized file type' - ierr = -1 + write(errmsg,*) trim(adjustl(param%in_type)) // ' is an unrecognized file type' + goto 667 end select - close(iu) + close(iu, err = 667, iomsg = errmsg) - 100 if (ierr /= 0 ) then - write(*,*) 'Error reading in initial conditions from ',trim(adjustl(infile)) - call util_exit(FAILURE) - end if + return + 667 continue + write(*,*) 'Error reading in initial conditions file: ',trim(adjustl(errmsg)) return end subroutine io_read_body_in @@ -880,38 +881,34 @@ module subroutine io_read_cb_in(self, param) ! Internals integer(I4B), parameter :: LUN = 7 !! Unit number of input file integer(I4B) :: iu = LUN - integer(I4B) :: ierr - logical :: is_ascii - real(DP) :: t - real(QP) :: val - - ierr = 0 - is_ascii = (param%in_type == 'ASCII') - if (is_ascii) then - open(unit = iu, file = param%incbfile, status = 'old', form = 'FORMATTED', iostat = ierr) - read(iu, *, iostat = ierr) self%id - read(iu, *, iostat = ierr) val - self%Gmass = real(val, kind=DP) - self%mass = real(val / param%GU, kind=DP) - read(iu, *, iostat = ierr) self%radius - read(iu, *, iostat = ierr) self%j2rp2 - read(iu, *, iostat = ierr) self%j4rp4 + character(len=STRMAX) :: errmsg + + write(*,*) "Reading central body file " // trim(adjustl(param%incbfile)) + if (param%in_type == 'ASCII') then + open(unit = iu, file = param%incbfile, status = 'old', form = 'FORMATTED', err = 667, iomsg = errmsg) + read(iu, *, err = 667, iomsg = errmsg) self%id + read(iu, *, err = 667, iomsg = errmsg) self%Gmass + self%mass = real(self%Gmass / param%GU, kind=DP) + read(iu, *, err = 667, iomsg = errmsg) self%radius + read(iu, *, err = 667, iomsg = errmsg) self%j2rp2 + read(iu, *, err = 667, iomsg = errmsg) self%j4rp4 if (param%lrotation) then - read(iu, *, iostat = ierr) self%Ip(1), self%Ip(2), self%Ip(3) - read(iu, *, iostat = ierr) self%rot(1), self%rot(2), self%rot(3) + read(iu, *, err = 667, iomsg = errmsg) self%Ip(1), self%Ip(2), self%Ip(3) + read(iu, *, err = 667, iomsg = errmsg) self%rot(1), self%rot(2), self%rot(3) end if else - open(unit = iu, file = param%incbfile, status = 'old', form = 'UNFORMATTED', iostat = ierr) - call self%read_frame(iu, param, XV, ierr) - end if - close(iu) - if (ierr /= 0) then - write(*,*) 'Error opening massive body initial conditions file ',trim(adjustl(param%incbfile)) - call util_exit(FAILURE) + open(unit = iu, file = param%incbfile, status = 'old', form = 'UNFORMATTED', err = 667, iomsg = errmsg) + call self%read_frame(iu, param, XV) end if + close(iu, err = 667, iomsg = errmsg) + if (self%j2rp2 /= 0.0_DP) param%loblatecb = .true. return + + 667 continue + write(*,*) "Error reading central body file: " // trim(adjustl(errmsg)) + call util_exit(FAILURE) end subroutine io_read_cb_in @@ -966,7 +963,7 @@ function io_read_encounter(t, id1, id2, Gmass1, Gmass2, radius1, radius2, & end function io_read_encounter - module subroutine io_read_frame_body(self, iu, param, form, ierr) + module subroutine io_read_frame_body(self, iu, param, form) !! author: David A. Minton !! !! Reads a frame of output of either test particle or massive body data from a binary output file @@ -979,11 +976,12 @@ module subroutine io_read_frame_body(self, iu, param, form, ierr) integer(I4B), intent(inout) :: iu !! Unit number for the output file to write frame to class(swiftest_parameters), intent(inout) :: param !! Current run configuration parameters character(*), intent(in) :: form !! Input format code ("XV" or "EL") - integer(I4B), intent(out) :: ierr !! Error code + ! Internals + character(len=STRMAX) :: errmsg associate(n => self%nbody) - read(iu, iostat=ierr, err=100) self%id(:) - !read(iu, iostat=ierr, err=100) self%name(1:n) + read(iu, err = 667, iomsg = errmsg) self%id(:) + !read(iu, err = 667, iomsg = errmsg) self%name(1:n) select case (form) case (EL) if (.not.allocated(self%a)) allocate(self%a(n)) @@ -992,51 +990,50 @@ module subroutine io_read_frame_body(self, iu, param, form, ierr) if (.not.allocated(self%capom)) allocate(self%capom(n)) if (.not.allocated(self%omega)) allocate(self%omega(n)) if (.not.allocated(self%capm)) allocate(self%capm(n)) - read(iu, iostat=ierr, err=100) self%a(:) - read(iu, iostat=ierr, err=100) self%e(:) - read(iu, iostat=ierr, err=100) self%inc(:) - read(iu, iostat=ierr, err=100) self%capom(:) - read(iu, iostat=ierr, err=100) self%omega(:) - read(iu, iostat=ierr, err=100) self%capm(:) + read(iu, err = 667, iomsg = errmsg) self%a(:) + read(iu, err = 667, iomsg = errmsg) self%e(:) + read(iu, err = 667, iomsg = errmsg) self%inc(:) + read(iu, err = 667, iomsg = errmsg) self%capom(:) + read(iu, err = 667, iomsg = errmsg) self%omega(:) + read(iu, err = 667, iomsg = errmsg) self%capm(:) case (XV) - read(iu, iostat=ierr, err=100) self%xh(1, :) - read(iu, iostat=ierr, err=100) self%xh(2, :) - read(iu, iostat=ierr, err=100) self%xh(3, :) - read(iu, iostat=ierr, err=100) self%vh(1, :) - read(iu, iostat=ierr, err=100) self%vh(2, :) - read(iu, iostat=ierr, err=100) self%vh(3, :) + read(iu, err = 667, iomsg = errmsg) self%xh(1, :) + read(iu, err = 667, iomsg = errmsg) self%xh(2, :) + read(iu, err = 667, iomsg = errmsg) self%xh(3, :) + read(iu, err = 667, iomsg = errmsg) self%vh(1, :) + read(iu, err = 667, iomsg = errmsg) self%vh(2, :) + read(iu, err = 667, iomsg = errmsg) self%vh(3, :) end select select type(pl => self) class is (swiftest_pl) ! Additional output if the passed polymorphic object is a massive body - read(iu, iostat=ierr, err=100) pl%Gmass(:) + read(iu, err = 667, iomsg = errmsg) pl%Gmass(:) pl%mass(:) = pl%Gmass(:) / param%GU - if (param%lrhill_present) read(iu, iostat=ierr, err=100) pl%rhill(:) - if (param%lclose) read(iu, iostat=ierr, err=100) pl%radius(:) + if (param%lrhill_present) read(iu, err = 667, iomsg = errmsg) pl%rhill(:) + if (param%lclose) read(iu, err = 667, iomsg = errmsg) pl%radius(:) if (param%lrotation) then - read(iu, iostat=ierr, err=100) pl%rot(1, :) - read(iu, iostat=ierr, err=100) pl%rot(2, :) - read(iu, iostat=ierr, err=100) pl%rot(3, :) - read(iu, iostat=ierr, err=100) pl%Ip(1, :) - read(iu, iostat=ierr, err=100) pl%Ip(2, :) - read(iu, iostat=ierr, err=100) pl%Ip(3, :) + read(iu, err = 667, iomsg = errmsg) pl%rot(1, :) + read(iu, err = 667, iomsg = errmsg) pl%rot(2, :) + read(iu, err = 667, iomsg = errmsg) pl%rot(3, :) + read(iu, err = 667, iomsg = errmsg) pl%Ip(1, :) + read(iu, err = 667, iomsg = errmsg) pl%Ip(2, :) + read(iu, err = 667, iomsg = errmsg) pl%Ip(3, :) end if if (param%ltides) then - read(iu, iostat=ierr, err=100) pl%k2(1:n) - read(iu, iostat=ierr, err=100) pl%Q(1:n) + read(iu, err = 667, iomsg = errmsg) pl%k2(1:n) + read(iu, err = 667, iomsg = errmsg) pl%Q(1:n) end if end select end associate - 100 if (ierr /=0) then - write(*,*) 'Error reading Swiftest body data' - call util_exit(FAILURE) - end if - return + + 667 continue + write(*,*) "Error reading central body file: " // trim(adjustl(errmsg)) + call util_exit(FAILURE) end subroutine io_read_frame_body - module subroutine io_read_frame_cb(self, iu, param, form, ierr) + module subroutine io_read_frame_cb(self, iu, param, form) !! author: David A. Minton !! !! Reads a frame of output of central body data to the binary output file @@ -1049,33 +1046,33 @@ module subroutine io_read_frame_cb(self, iu, param, form, ierr) integer(I4B), intent(inout) :: iu !! Unit number for the output file to write frame to class(swiftest_parameters), intent(inout) :: param !! Current run configuration parameters character(*), intent(in) :: form !! Input format code ("XV" or "EL") - integer(I4B), intent(out) :: ierr !! Error cod + ! Internals + character(len=STRMAX) :: errmsg - read(iu, iostat=ierr, err=100) self%id - !read(iu, iostat=ierr, err=100) self%name - read(iu, iostat=ierr, err=100) self%Gmass + read(iu, err = 667, iomsg = errmsg) self%id + !read(iu, err = 667, iomsg = errmsg) self%name + read(iu, err = 667, iomsg = errmsg) self%Gmass self%mass = self%Gmass / param%GU - read(iu, iostat=ierr, err=100) self%radius - read(iu, iostat=ierr, err=100) self%j2rp2 - read(iu, iostat=ierr, err=100) self%j4rp4 + read(iu, err = 667, iomsg = errmsg) self%radius + read(iu, err = 667, iomsg = errmsg) self%j2rp2 + read(iu, err = 667, iomsg = errmsg) self%j4rp4 if (param%lrotation) then - read(iu, iostat=ierr, err=100) self%Ip(:) - read(iu, iostat=ierr, err=100) self%rot(:) + read(iu, err = 667, iomsg = errmsg) self%Ip(:) + read(iu, err = 667, iomsg = errmsg) self%rot(:) end if if (param%ltides) then - read(iu, iostat=ierr, err=100) self%k2 - read(iu, iostat=ierr, err=100) self%Q - end if - 100 if (ierr /=0) then - write(*,*) 'Error reading central body data' - call util_exit(FAILURE) + read(iu, err = 667, iomsg = errmsg) self%k2 + read(iu, err = 667, iomsg = errmsg) self%Q end if - return + + 667 continue + write(*,*) "Error reading central body file: " // trim(adjustl(errmsg)) + call util_exit(FAILURE) end subroutine io_read_frame_cb - module subroutine io_read_frame_system(self, iu, param, form, ierr) + module subroutine io_read_frame_system(self, iu, param, form) !! author: The Purdue Swiftest Team - David A. Minton, Carlisle A. Wishard, Jennifer L.L. Pouplin, and Jacob R. Elliott !! !! Read a frame (header plus records for each massive body and active test particle) from a output binary file @@ -1085,19 +1082,15 @@ module subroutine io_read_frame_system(self, iu, param, form, ierr) integer(I4B), intent(inout) :: iu !! Unit number for the output file to write frame to class(swiftest_parameters), intent(inout) :: param !! Current run configuration parameters character(*), intent(in) :: form !! Input format code ("XV" or "EL") - integer(I4B), intent(out) :: ierr !! Error code ! Internals - logical, save :: lfirst = .true. + logical, save :: lfirst = .true. + character(len=STRMAX) :: errmsg + integer(I4B) :: ierr iu = BINUNIT if (lfirst) then - open(unit = iu, file = param%outfile, status = 'OLD', form = 'UNFORMATTED', iostat = ierr) + open(unit = iu, file = param%outfile, status = 'OLD', form = 'UNFORMATTED', err = 667, iomsg = errmsg) lfirst = .false. - if (ierr /= 0) then - write(*, *) "Swiftest error:" - write(*, *) " Binary output file already exists or cannot be accessed" - return - end if end if ierr = io_read_hdr(iu, param%t, self%pl%nbody, self%tp%nbody, param%out_form, param%out_type) if (ierr /= 0) then @@ -1105,13 +1098,15 @@ module subroutine io_read_frame_system(self, iu, param, form, ierr) write(*, *) " Binary output file already exists or cannot be accessed" return end if - call self%cb%read_frame(iu, param, form, ierr) - if (ierr /= 0) return - call self%pl%read_frame(iu, param, form, ierr) - if (ierr /= 0) return - call self%tp%read_frame(iu, param, form, ierr) + call self%cb%read_frame(iu, param, form) + call self%pl%read_frame(iu, param, form) + call self%tp%read_frame(iu, param, form) return + + 667 continue + write(*,*) "Error reading system frame: " // trim(adjustl(errmsg)) + call util_exit(FAILURE) end subroutine io_read_frame_system @@ -1132,24 +1127,30 @@ function io_read_hdr(iu, t, npl, ntp, out_form, out_type) result(ierr) ! Result integer(I4B) :: ierr ! Internals - real(SP) :: ttmp + real(SP) :: ttmp + character(len=STRMAX) :: errmsg select case (out_type) case (REAL4_TYPE, SWIFTER_REAL4_TYPE) - read(iu, iostat = ierr) ttmp, npl, ntp, out_form + read(iu, iostat = ierr, err = 667, iomsg = errmsg) ttmp, npl, ntp, out_form if (ierr /= 0) return t = ttmp case (REAL8_TYPE, SWIFTER_REAL8_TYPE) - read(iu, iostat = ierr) t - read(iu, iostat = ierr) npl - read(iu, iostat = ierr) ntp - read(iu, iostat = ierr) out_form + read(iu, iostat = ierr, err = 667, iomsg = errmsg) t + read(iu, iostat = ierr, err = 667, iomsg = errmsg) npl + read(iu, iostat = ierr, err = 667, iomsg = errmsg) ntp + read(iu, iostat = ierr, err = 667, iomsg = errmsg) out_form case default - write(*,*) trim(adjustl(out_type)) // ' is an unrecognized file type' + write(errmsg,*) trim(adjustl(out_type)) // ' is an unrecognized file type' ierr = -1 end select return + + 667 continue + write(*,*) "Error reading header: " // trim(adjustl(errmsg)) + + return end function io_read_hdr module subroutine io_read_param_in(self, param_file_name) @@ -1166,31 +1167,24 @@ module subroutine io_read_param_in(self, param_file_name) ! Internals integer(I4B), parameter :: LUN = 7 !! Unit number of input file integer(I4B) :: ierr = 0 !! Input error code - character(STRMAX) :: error_message !! Error message in UDIO procedure + character(STRMAX) :: errmsg !! Error message in UDIO procedure ! Read in name of parameter file write(*, *) 'Parameter input file is ', trim(adjustl(param_file_name)) write(*, *) ' ' 100 format(A) - open(unit = LUN, file = param_file_name, status = 'old', iostat = ierr) - if (ierr /= 0) then - write(*,*) 'Swiftest error: ', ierr - write(*,*) ' Unable to open file ',trim(adjustl(param_file_name)) - call util_exit(FAILURE) - end if + open(unit = LUN, file = param_file_name, status = 'old', iostat = ierr, err = 667, iomsg = errmsg) !! todo: Currently this procedure does not work in user-defined derived-type input mode !! as the newline characters are ignored in the input file when compiled in ifort. - !read(LUN,'(DT)', iostat= ierr, iomsg = error_message) param - call self%reader(LUN, iotype= "none", v_list = [self%integrator], iostat = ierr, iomsg = error_message) - if (ierr /= 0) then - write(*,*) 'Swiftest error reading ', trim(adjustl(param_file_name)) - write(*,*) ierr,trim(adjustl(error_message)) - call util_exit(FAILURE) - end if + !read(LUN,'(DT)', iostat= ierr, iomsg = errmsg) param + call self%reader(LUN, iotype= "none", v_list = [self%integrator], iostat = ierr, iomsg = errmsg) + if (ierr == 0) return - return + 667 continue + write(*,*) "Error reading parameter file: " // trim(adjustl(errmsg)) + call util_exit(FAILURE) end subroutine io_read_param_in @@ -1232,7 +1226,7 @@ module subroutine io_write_discard(self, param) class(swiftest_parameters), intent(in) :: param !! Current run configuration parameters ! Internals integer(I4B), parameter :: LUN = 40 - integer(I4B) :: i, ierr + integer(I4B) :: i logical, save :: lfirst = .true. real(DP), dimension(:,:), allocatable :: vh character(*), parameter :: HDRFMT = '(E23.16, 1X, I8, 1X, L1)' @@ -1241,6 +1235,7 @@ module subroutine io_write_discard(self, param) character(*), parameter :: NPLFMT = '(I8)' character(*), parameter :: PLNAMEFMT = '(I8, 2(1X, E23.16))' class(swiftest_body), allocatable :: pltemp + character(len=STRMAX) :: errmsg if (param%discard_out == "") return @@ -1248,9 +1243,9 @@ module subroutine io_write_discard(self, param) if (nsp == 0) return select case(param%out_stat) case('APPEND') - open(unit = LUN, file = param%discard_out, status = 'OLD', position = 'APPEND', form = 'FORMATTED', iostat = ierr) + open(unit = LUN, file = param%discard_out, status = 'OLD', position = 'APPEND', form = 'FORMATTED', err = 667, iomsg = errmsg) case('NEW', 'REPLACE', 'UNKNOWN') - open(unit = LUN, file = param%discard_out, status = param%out_stat, form = 'FORMATTED', iostat = ierr) + open(unit = LUN, file = param%discard_out, status = param%out_stat, form = 'FORMATTED', err = 667, iomsg = errmsg) case default write(*,*) 'Invalid status code for OUT_STAT: ',trim(adjustl(param%out_stat)) call util_exit(FAILURE) @@ -1260,9 +1255,9 @@ module subroutine io_write_discard(self, param) write(LUN, HDRFMT) param%t, nsp, param%lbig_discard do i = 1, nsp - write(LUN, NAMEFMT) SUB, tp_discards%id(i), tp_discards%status(i) - write(LUN, VECFMT) tp_discards%xh(1, i), tp_discards%xh(2, i), tp_discards%xh(3, i) - write(LUN, VECFMT) tp_discards%vh(1, i), tp_discards%vh(2, i), tp_discards%vh(3, i) + write(LUN, NAMEFMT, err = 667, iomsg = errmsg) SUB, tp_discards%id(i), tp_discards%status(i) + write(LUN, VECFMT, err = 667, iomsg = errmsg) tp_discards%xh(1, i), tp_discards%xh(2, i), tp_discards%xh(3, i) + write(LUN, VECFMT, err = 667, iomsg = errmsg) tp_discards%vh(1, i), tp_discards%vh(2, i), tp_discards%vh(3, i) end do if (param%lbig_discard) then if (param%lgr) then @@ -1276,9 +1271,9 @@ module subroutine io_write_discard(self, param) write(LUN, NPLFMT) npl do i = 1, npl - write(LUN, PLNAMEFMT) pl%id(i), pl%Gmass(i), pl%radius(i) - write(LUN, VECFMT) pl%xh(1, i), pl%xh(2, i), pl%xh(3, i) - write(LUN, VECFMT) vh(1, i), vh(2, i), vh(3, i) + write(LUN, PLNAMEFMT, err = 667, iomsg = errmsg) pl%id(i), pl%Gmass(i), pl%radius(i) + write(LUN, VECFMT, err = 667, iomsg = errmsg) pl%xh(1, i), pl%xh(2, i), pl%xh(3, i) + write(LUN, VECFMT, err = 667, iomsg = errmsg) vh(1, i), vh(2, i), vh(3, i) end do deallocate(vh) end if @@ -1286,6 +1281,10 @@ module subroutine io_write_discard(self, param) end associate return + + 667 continue + write(*,*) "Error writing discard file: " // trim(adjustl(errmsg)) + call util_exit(FAILURE) end subroutine io_write_discard @@ -1300,17 +1299,13 @@ module subroutine io_write_encounter(self, pl, encbody, param) logical , save :: lfirst = .true. integer(I4B), parameter :: LUN = 30 integer(I4B) :: k, ierr + character(len=STRMAX) :: errmsg if (param%enc_out == "" .or. self%nenc == 0) return - open(unit = LUN, file = param%enc_out, status = 'OLD', position = 'APPEND', form = 'UNFORMATTED', iostat = ierr) + open(unit = LUN, file = param%enc_out, status = 'OLD', position = 'APPEND', form = 'UNFORMATTED', err = 667, iomsg = errmsg) if ((ierr /= 0) .and. lfirst) then - open(unit = LUN, file = param%enc_out, status = 'NEW', form = 'UNFORMATTED', iostat = ierr) - end if - if (ierr /= 0) then - write(*, *) "Swiftest Error:" - write(*, *) " Unable to open binary encounter file" - call util_exit(FAILURE) + open(unit = LUN, file = param%enc_out, status = 'NEW', form = 'UNFORMATTED', err = 667, iomsg = errmsg) end if lfirst = .false. @@ -1337,13 +1332,12 @@ module subroutine io_write_encounter(self, pl, encbody, param) end select end associate - close(unit = LUN, iostat = ierr) - if (ierr /= 0) then - write(*, *) "Swiftest Error:" - write(*, *) " Unable to close binary encounter file" - call util_exit(FAILURE) - end if + close(unit = LUN, err = 667, iomsg = errmsg) + return + 667 continue + write(*,*) "Error writing discard file: " // trim(adjustl(errmsg)) + call util_exit(FAILURE) end subroutine io_write_encounter @@ -1360,48 +1354,53 @@ module subroutine io_write_frame_body(self, iu, param) class(swiftest_body), intent(in) :: self !! Swiftest particle object integer(I4B), intent(inout) :: iu !! Unit number for the output file to write frame to class(swiftest_parameters), intent(in) :: param !! Current run configuration parameters + ! Internals + character(len=STRMAX) :: errmsg associate(n => self%nbody) if (n == 0) return - write(iu) self%id(1:n) - !write(iu) self%name(1:n) + write(iu, err = 667, iomsg = errmsg) self%id(1:n) + !write(iu, err = 667, iomsg = errmsg) self%name(1:n) select case (param%out_form) case (EL) - write(iu) self%a(1:n) - write(iu) self%e(1:n) - write(iu) self%inc(1:n) - write(iu) self%capom(1:n) - write(iu) self%omega(1:n) - write(iu) self%capm(1:n) + write(iu, err = 667, iomsg = errmsg) self%a(1:n) + write(iu, err = 667, iomsg = errmsg) self%e(1:n) + write(iu, err = 667, iomsg = errmsg) self%inc(1:n) + write(iu, err = 667, iomsg = errmsg) self%capom(1:n) + write(iu, err = 667, iomsg = errmsg) self%omega(1:n) + write(iu, err = 667, iomsg = errmsg) self%capm(1:n) case (XV) - write(iu) self%xh(1, 1:n) - write(iu) self%xh(2, 1:n) - write(iu) self%xh(3, 1:n) - write(iu) self%vh(1, 1:n) - write(iu) self%vh(2, 1:n) - write(iu) self%vh(3, 1:n) + write(iu, err = 667, iomsg = errmsg) self%xh(1, 1:n) + write(iu, err = 667, iomsg = errmsg) self%xh(2, 1:n) + write(iu, err = 667, iomsg = errmsg) self%xh(3, 1:n) + write(iu, err = 667, iomsg = errmsg) self%vh(1, 1:n) + write(iu, err = 667, iomsg = errmsg) self%vh(2, 1:n) + write(iu, err = 667, iomsg = errmsg) self%vh(3, 1:n) end select select type(pl => self) class is (swiftest_pl) ! Additional output if the passed polymorphic object is a massive body - write(iu) pl%Gmass(1:n) - if (param%lrhill_present) write(iu) pl%rhill(1:n) - if (param%lclose) write(iu) pl%radius(1:n) + write(iu, err = 667, iomsg = errmsg) pl%Gmass(1:n) + if (param%lrhill_present) write(iu, err = 667, iomsg = errmsg) pl%rhill(1:n) + if (param%lclose) write(iu, err = 667, iomsg = errmsg) pl%radius(1:n) if (param%lrotation) then - write(iu) pl%Ip(1, 1:n) - write(iu) pl%Ip(2, 1:n) - write(iu) pl%Ip(3, 1:n) - write(iu) pl%rot(1, 1:n) - write(iu) pl%rot(2, 1:n) - write(iu) pl%rot(3, 1:n) + write(iu, err = 667, iomsg = errmsg) pl%Ip(1, 1:n) + write(iu, err = 667, iomsg = errmsg) pl%Ip(2, 1:n) + write(iu, err = 667, iomsg = errmsg) pl%Ip(3, 1:n) + write(iu, err = 667, iomsg = errmsg) pl%rot(1, 1:n) + write(iu, err = 667, iomsg = errmsg) pl%rot(2, 1:n) + write(iu, err = 667, iomsg = errmsg) pl%rot(3, 1:n) end if if (param%ltides) then - write(iu) pl%k2(1:n) - write(iu) pl%Q(1:n) + write(iu, err = 667, iomsg = errmsg) pl%k2(1:n) + write(iu, err = 667, iomsg = errmsg) pl%Q(1:n) end if end select end associate return + 667 continue + write(*,*) "Error writing body frame: " // trim(adjustl(errmsg)) + call util_exit(FAILURE) end subroutine io_write_frame_body @@ -1417,29 +1416,34 @@ module subroutine io_write_frame_cb(self, iu, param) class(swiftest_cb), intent(in) :: self !! Swiftest central body object integer(I4B), intent(inout) :: iu !! Unit number for the output file to write frame to class(swiftest_parameters), intent(in) :: param !! Current run configuration parameters + ! Internals + character(len=STRMAX) :: errmsg associate(cb => self) - !write(iu) cb%name - write(iu) cb%id - write(iu) cb%Gmass - write(iu) cb%radius - write(iu) cb%j2rp2 - write(iu) cb%j4rp4 + !write(iu, err = 667, iomsg = errmsg) cb%name + write(iu, err = 667, iomsg = errmsg) cb%id + write(iu, err = 667, iomsg = errmsg) cb%Gmass + write(iu, err = 667, iomsg = errmsg) cb%radius + write(iu, err = 667, iomsg = errmsg) cb%j2rp2 + write(iu, err = 667, iomsg = errmsg) cb%j4rp4 if (param%lrotation) then - write(iu) cb%Ip(1) - write(iu) cb%Ip(2) - write(iu) cb%Ip(3) - write(iu) cb%rot(1) - write(iu) cb%rot(2) - write(iu) cb%rot(3) + write(iu, err = 667, iomsg = errmsg) cb%Ip(1) + write(iu, err = 667, iomsg = errmsg) cb%Ip(2) + write(iu, err = 667, iomsg = errmsg) cb%Ip(3) + write(iu, err = 667, iomsg = errmsg) cb%rot(1) + write(iu, err = 667, iomsg = errmsg) cb%rot(2) + write(iu, err = 667, iomsg = errmsg) cb%rot(3) end if if (param%ltides) then - write(iu) cb%k2 - write(iu) cb%Q + write(iu, err = 667, iomsg = errmsg) cb%k2 + write(iu, err = 667, iomsg = errmsg) cb%Q end if end associate return + 667 continue + write(*,*) "Error writing central body frame: " // trim(adjustl(errmsg)) + call util_exit(FAILURE) end subroutine io_write_frame_cb @@ -1460,19 +1464,16 @@ module subroutine io_write_frame_encounter(iu, t, id1, id2, Gmass1, Gmass2, radi real(DP), dimension(:), intent(in) :: xh1, xh2 !! Heliocentric position vectors of the two encountering bodies real(DP), dimension(:), intent(in) :: vh1, vh2 !! Heliocentric velocity vectors of the two encountering bodies ! Internals - integer(I4B) :: ierr + character(len=STRMAX) :: errmsg - write(iu, iostat = ierr) t - write(iu, iostat = ierr) id1, xh1(1), xh1(2), xh1(3), vh1(1), vh1(2), Gmass1, radius1 - write(iu, iostat = ierr) id2, xh2(1), xh2(2), xh2(3), vh2(1), vh2(2), Gmass2, radius2 - - if (ierr /= 0) then - write(*, *) "Swiftest Error:" - write(*, *) " Unable to write binary file record for encounter" - call util_exit(FAILURE) - end if + write(iu, err = 667, iomsg = errmsg) t + write(iu, err = 667, iomsg = errmsg) id1, xh1(1), xh1(2), xh1(3), vh1(1), vh1(2), Gmass1, radius1 + write(iu, err = 667, iomsg = errmsg) id2, xh2(1), xh2(2), xh2(3), vh2(1), vh2(2), Gmass2, radius2 return + 667 continue + write(*,*) "Error writing encounter file: " // trim(adjustl(errmsg)) + call util_exit(FAILURE) end subroutine @@ -1491,11 +1492,10 @@ module subroutine io_write_frame_system(self, iu, param) class(swiftest_parameters), intent(in) :: param !! Current run configuration parameters ! Internals logical, save :: lfirst = .true. !! Flag to determine if this is the first call of this method - integer(I4B) :: ierr !! I/O error code - class(swiftest_cb), allocatable :: cb !! Temporary local version of pl structure used for non-destructive conversions class(swiftest_pl), allocatable :: pl !! Temporary local version of pl structure used for non-destructive conversions class(swiftest_tp), allocatable :: tp !! Temporary local version of pl structure used for non-destructive conversions + character(len=STRMAX) :: errmsg allocate(cb, source = self%cb) allocate(pl, source = self%pl) @@ -1505,27 +1505,16 @@ module subroutine io_write_frame_system(self, iu, param) if (lfirst) then select case(param%out_stat) case('APPEND') - open(unit = iu, file = param%outfile, status = 'OLD', position = 'APPEND', form = 'UNFORMATTED', iostat = ierr) + open(unit = iu, file = param%outfile, status = 'OLD', position = 'APPEND', form = 'UNFORMATTED', err = 667, iomsg = errmsg) case('NEW', 'REPLACE', 'UNKNOWN') - open(unit = iu, file = param%outfile, status = param%out_stat, form = 'UNFORMATTED', iostat = ierr) + open(unit = iu, file = param%outfile, status = param%out_stat, form = 'UNFORMATTED', err = 667, iomsg = errmsg) case default write(*,*) 'Invalid status code for OUT_STAT: ',trim(adjustl(param%out_stat)) call util_exit(FAILURE) end select - if (ierr /= 0) then - write(*, *) "Swiftest error: io_write_frame_system - first", ierr - write(*, *) " Binary output file " // trim(adjustl(param%outfile)) // " already exists or cannot be accessed" - write(*, *) " OUT_STAT: " // trim(adjustl(param%out_stat)) - call util_exit(FAILURE) - end if lfirst = .false. else - open(unit = iu, file = param%outfile, status = 'OLD', position = 'APPEND', form = 'UNFORMATTED', iostat = ierr) - if (ierr /= 0) then - write(*, *) "Swiftest error: io_write_frame_system" - write(*, *) " Unable to open binary output file for APPEND" - call util_exit(FAILURE) - end if + open(unit = iu, file = param%outfile, status = 'OLD', position = 'APPEND', form = 'UNFORMATTED', err = 667, iomsg = errmsg) end if call io_write_hdr(iu, param%t, pl%nbody, tp%nbody, param%out_form, param%out_type) @@ -1546,9 +1535,12 @@ module subroutine io_write_frame_system(self, iu, param) deallocate(cb, pl, tp) - close(iu) + close(iu, err = 667, iomsg = errmsg) return + 667 continue + write(*,*) "Error writing system frame: " // trim(adjustl(errmsg)) + call util_exit(FAILURE) end subroutine io_write_frame_system @@ -1568,29 +1560,23 @@ subroutine io_write_hdr(iu, t, npl, ntp, out_form, out_type) character(*), intent(in) :: out_form !! Output format type ("EL" or "XV") character(*), intent(in) :: out_type !! Output file format type (REAL4, REAL8 - see swiftest module for symbolic name definitions) ! Internals - integer(I4B) :: ierr !! Error code + character(len=STRMAX) :: errmsg select case (out_type) case (REAL4_TYPE,SWIFTER_REAL4_TYPE) - write(iu, iostat = ierr) real(t, kind=SP) - if (ierr /= 0) then - write(*, *) "Swiftest error:" - write(*, *) " Unable to write binary file header" - call util_exit(FAILURE) - end if + write(iu, err = 667, iomsg = errmsg) real(t, kind=SP) case (REAL8_TYPE,SWIFTER_REAL8_TYPE) - write(iu, iostat = ierr) t - if (ierr /= 0) then - write(*, *) "Swiftest error:" - write(*, *) " Unable to write binary file header" - call util_exit(FAILURE) - end if + write(iu, err = 667, iomsg = errmsg) t end select - write(iu, iostat = ierr) npl - write(iu, iostat = ierr) ntp - write(iu, iostat = ierr) out_form + write(iu, err = 667, iomsg = errmsg) npl + write(iu, err = 667, iomsg = errmsg) ntp + write(iu, err = 667, iomsg = errmsg) out_form return + + 667 continue + write(*,*) "Error writing header: " // trim(adjustl(errmsg)) + call util_exit(FAILURE) end subroutine io_write_hdr end submodule s_io diff --git a/src/modules/swiftest_classes.f90 b/src/modules/swiftest_classes.f90 index 96c35675b..8949afdfa 100644 --- a/src/modules/swiftest_classes.f90 +++ b/src/modules/swiftest_classes.f90 @@ -364,13 +364,12 @@ subroutine abstract_kick_body(self, system, param, t, dt, lbeg) logical, intent(in) :: lbeg !! Logical flag indicating whether this is the beginning of the half step or not. end subroutine abstract_kick_body - subroutine abstract_read_frame(self, iu, param, form, ierr) + subroutine abstract_read_frame(self, iu, param, form) import DP, I4B, swiftest_base, swiftest_parameters class(swiftest_base), intent(inout) :: self !! Swiftest base object integer(I4B), intent(inout) :: iu !! Unit number for the output file to write frame to class(swiftest_parameters), intent(inout) :: param !! Current run configuration parameters character(*), intent(in) :: form !! Input format code ("XV" or "EL") - integer(I4B), intent(out) :: ierr !! Error code end subroutine abstract_read_frame subroutine abstract_set_mu(self, cb) @@ -620,31 +619,28 @@ module subroutine io_read_param_in(self, param_file_name) character(len=*), intent(in) :: param_file_name !! Parameter input file name (i.e. param.in) end subroutine io_read_param_in - module subroutine io_read_frame_body(self, iu, param, form, ierr) + module subroutine io_read_frame_body(self, iu, param, form) implicit none class(swiftest_body), intent(inout) :: self !! Swiftest body object integer(I4B), intent(inout) :: iu !! Unit number for the output file to write frame to class(swiftest_parameters), intent(inout) :: param !! Current run configuration parameters character(*), intent(in) :: form !! Input format code ("XV" or "EL") - integer(I4B), intent(out) :: ierr !! Error code end subroutine io_read_frame_body - module subroutine io_read_frame_cb(self, iu, param, form, ierr) + module subroutine io_read_frame_cb(self, iu, param, form) implicit none class(swiftest_cb), intent(inout) :: self !! Swiftest central body object integer(I4B), intent(inout) :: iu !! Unit number for the output file to write frame to class(swiftest_parameters), intent(inout) :: param !! Current run configuration parameters character(*), intent(in) :: form !! Input format code ("XV" or "EL") - integer(I4B), intent(out) :: ierr !! Error code end subroutine io_read_frame_cb - module subroutine io_read_frame_system(self, iu, param, form, ierr) + module subroutine io_read_frame_system(self, iu, param, form) implicit none class(swiftest_nbody_system),intent(inout) :: self !! Swiftest system object integer(I4B), intent(inout) :: iu !! Unit number for the output file to write frame to class(swiftest_parameters), intent(inout) :: param !! Current run configuration parameters character(*), intent(in) :: form !! Input format code ("XV" or "EL") - integer(I4B), intent(out) :: ierr !! Error code end subroutine io_read_frame_system module subroutine io_write_discard(self, param) diff --git a/src/symba/symba_io.f90 b/src/symba/symba_io.f90 index 73027c351..4bdc5c195 100644 --- a/src/symba/symba_io.f90 +++ b/src/symba/symba_io.f90 @@ -17,40 +17,31 @@ module subroutine symba_io_dump_particle_info(system, param, lincludecb, tpidx, ! Internals logical, save :: lfirst = .true. integer(I4B), parameter :: LUN = 22 - integer(I4B) :: i, ierr + integer(I4B) :: i + character(STRMAX) :: errmsg if (lfirst) then select case(param%out_stat) case('APPEND') - open(unit = LUN, file = param%particle_out, status = 'OLD', position = 'APPEND', form = 'UNFORMATTED', iostat = ierr) + open(unit = LUN, file = param%particle_out, status = 'OLD', position = 'APPEND', form = 'UNFORMATTED', err = 667, iomsg = errmsg) case('NEW', 'UNKNOWN', 'REPLACE') - open(unit = LUN, file = param%particle_out, status = param%out_stat, form = 'UNFORMATTED', iostat = ierr) + open(unit = LUN, file = param%particle_out, status = param%out_stat, form = 'UNFORMATTED', err = 667, iomsg = errmsg) case default write(*,*) 'Invalid status code',trim(adjustl(param%out_stat)) call util_exit(FAILURE) end select - if (ierr /= 0) then - write(*, *) "Swiftest error:" - write(*, *) " particle output file already exists or cannot be accessed" - call util_exit(FAILURE) - end if lfirst = .false. else - open(unit = LUN, file = param%particle_out, status = 'OLD', position = 'APPEND', form = 'UNFORMATTED', iostat = ierr) - if (ierr /= 0) then - write(*, *) "Swiftest error:" - write(*, *) " unable to open binary output file for APPEND" - call util_exit(FAILURE) - end if + open(unit = LUN, file = param%particle_out, status = 'OLD', position = 'APPEND', form = 'UNFORMATTED', err = 667, iomsg = errmsg) end if if (present(lincludecb)) then if (lincludecb) then select type(cb => system%cb) class is (symba_cb) - write(LUN) cb%id - write(LUN) cb%info + write(LUN, err = 667, iomsg = errmsg) cb%id + write(LUN, err = 667, iomsg = errmsg) cb%info end select end if end if @@ -59,8 +50,8 @@ module subroutine symba_io_dump_particle_info(system, param, lincludecb, tpidx, select type(pl => system%pl) class is (symba_pl) do i = 1, size(plidx) - write(LUN) pl%id(plidx(i)) - write(LUN) pl%info(plidx(i)) + write(LUN, err = 667, iomsg = errmsg) pl%id(plidx(i)) + write(LUN, err = 667, iomsg = errmsg) pl%info(plidx(i)) end do end select end if @@ -69,20 +60,19 @@ module subroutine symba_io_dump_particle_info(system, param, lincludecb, tpidx, select type(tp => system%tp) class is (symba_tp) do i = 1, size(tpidx) - write(LUN) tp%id(tpidx(i)) - write(LUN) tp%info(tpidx(i)) + write(LUN, err = 667, iomsg = errmsg) tp%id(tpidx(i)) + write(LUN, err = 667, iomsg = errmsg) tp%info(tpidx(i)) end do end select end if - close(unit = LUN, iostat = ierr) - if (ierr /= 0) then - write(*, *) "Swiftest error:" - write(*, *) " unable to close particle output file" - call util_exit(FAILURE) - end if + close(unit = LUN, err = 667, iomsg = errmsg) return + + 667 continue + write(*,*) "Error reading central body file: " // trim(adjustl(errmsg)) + call util_exit(FAILURE) end subroutine symba_io_dump_particle_info @@ -118,7 +108,7 @@ module subroutine symba_io_param_reader(self, unit, iotype, v_list, iostat, ioms allocate(param%seed(nseeds)) rewind(unit) do - read(unit = unit, fmt = linefmt, iostat = iostat, end = 1) line + read(unit = unit, fmt = linefmt, iostat = iostat, end = 1, err = 667, iomsg = iomsg) line line_trim = trim(adjustl(line)) ilength = len(line_trim) if ((ilength /= 0)) then @@ -192,6 +182,7 @@ module subroutine symba_io_param_reader(self, unit, iotype, v_list, iostat, ioms iostat = 0 + 667 continue return end subroutine symba_io_param_reader @@ -230,9 +221,9 @@ module subroutine symba_io_param_writer(self, unit, iotype, v_list, iostat, ioms ! Special handling is required for writing the random number seed array as its size is not known until runtime ! For the "SEED" parameter line, the first value will be the size of the seed array and the rest will be the seed array elements - write(param_name, Afmt) "PARTICLE_OUT"; write(param_value, Afmt) trim(adjustl(param%particle_out)); write(unit, Afmt) adjustl(param_name), adjustl(param_value) - write(param_name, Afmt) "GMTINY"; write(param_value, Rfmt) param%Gmtiny; write(unit, Afmt) adjustl(param_name), adjustl(param_value) - write(param_name, Afmt) "FRAGMENTATION"; write(param_value, Lfmt) param%lfragmentation; write(unit, Afmt) adjustl(param_name), adjustl(param_value) + write(param_name, Afmt) "PARTICLE_OUT"; write(param_value, Afmt) trim(adjustl(param%particle_out)); write(unit, Afmt, err = 667, iomsg = iomsg) adjustl(param_name), adjustl(param_value) + write(param_name, Afmt) "GMTINY"; write(param_value, Rfmt) param%Gmtiny; write(unit, Afmt, err = 667, iomsg = iomsg) adjustl(param_name), adjustl(param_value) + write(param_name, Afmt) "FRAGMENTATION"; write(param_value, Lfmt) param%lfragmentation; write(unit, Afmt, err = 667, iomsg = iomsg) adjustl(param_name), adjustl(param_value) if (param%lfragmentation) then write(param_name, Afmt) "SEED" if (allocated(param_array)) deallocate(param_array) @@ -241,12 +232,12 @@ module subroutine symba_io_param_writer(self, unit, iotype, v_list, iostat, ioms do i = 1, size(param%seed) write(param_array(i)%value, Ifmt) param%seed(i) end do - write(unit, Afmt, advance='no') adjustl(param_name), adjustl(param_array(0)%value) + write(unit, Afmt, advance='no', err = 667, iomsg = iomsg) adjustl(param_name), adjustl(param_array(0)%value) do i = 1, size(param%seed) if (i < size(param%seed)) then - write(unit, Afmt, advance='no') adjustl(param_array(i)%value) + write(unit, Afmt, advance='no', err = 667, iomsg = iomsg) adjustl(param_array(i)%value) else - write(unit, Afmt) adjustl(param_array(i)%value) + write(unit, Afmt, err = 667, iomsg = iomsg) adjustl(param_array(i)%value) end if end do end if @@ -254,6 +245,7 @@ module subroutine symba_io_param_writer(self, unit, iotype, v_list, iostat, ioms iostat = 0 end associate + 667 continue return end subroutine symba_io_param_writer @@ -268,16 +260,12 @@ module subroutine symba_io_read_particle(system, param) ! Internals integer(I4B), parameter :: LUN = 22 - integer(I4B) :: i, ierr, id, idx + integer(I4B) :: i, id, idx logical :: lmatch type(symba_particle_info) :: tmpinfo + character(STRMAX) :: errmsg - open(unit = LUN, file = param%particle_out, status = 'OLD', form = 'UNFORMATTED', iostat = ierr) - if (ierr /= 0) then - write(*, *) "Swiftest error:" - write(*, *) " unable to open binary particle file for reading" - call util_exit(FAILURE) - end if + open(unit = LUN, file = param%particle_out, status = 'OLD', form = 'UNFORMATTED', err = 667, iomsg = errmsg) select type(cb => system%cb) class is (symba_cb) @@ -287,44 +275,42 @@ module subroutine symba_io_read_particle(system, param) class is (symba_tp) do lmatch = .false. - read(LUN, iostat=ierr) id - if (ierr /=0) exit + read(LUN, err = 667, iomsg = errmsg) id if (idx == cb%id) then - read(LUN) cb%info + read(LUN, err = 667, iomsg = errmsg) cb%info lmatch = .true. else if (pl%nbody > 0) then idx = findloc(pl%id(:), id, dim=1) if (idx /= 0) then - read(LUN) pl%info(idx) + read(LUN, err = 667, iomsg = errmsg) pl%info(idx) lmatch = .true. end if end if if (.not.lmatch .and. tp%nbody > 0) then idx = findloc(tp%id(:), id, dim=1) if (idx /= 0) then - read(LUN) tp%info(idx) + read(LUN, err = 667, iomsg = errmsg) tp%info(idx) lmatch = .true. end if end if end if if (.not.lmatch) then write(*,*) 'Particle id ',id,' not found. Skipping' - read(LUN) tmpinfo + read(LUN, err = 667, iomsg = errmsg) tmpinfo end if end do - close(unit = LUN, iostat = ierr) + close(unit = LUN, err = 667, iomsg = errmsg) end select end select end select - if (ierr /= 0) then - write(*, *) "Swiftest error:" - write(*, *) " unable to close particle output file" - call util_exit(FAILURE) - end if return + + 667 continue + write(*,*) "Error reading particle information file: " // trim(adjustl(errmsg)) + call util_exit(FAILURE) end subroutine symba_io_read_particle @@ -334,7 +320,7 @@ module subroutine symba_io_write_discard(self, param) class(swiftest_parameters), intent(in) :: param !! Current run configuration parameters ! Internals integer(I4B), parameter :: LUN = 40 - integer(I4B) :: iadd, isub, j, ierr, nsub, nadd + integer(I4B) :: iadd, isub, j, nsub, nadd logical, save :: lfirst = .true. real(DP), dimension(:,:), allocatable :: vh character(*), parameter :: HDRFMT = '(E23.16, 1X, I8, 1X, L1)' @@ -343,6 +329,7 @@ module subroutine symba_io_write_discard(self, param) character(*), parameter :: NPLFMT = '(I8)' character(*), parameter :: PLNAMEFMT = '(I8, 2(1X, E23.16))' class(swiftest_body), allocatable :: pltemp + character(STRMAX) :: errmsg if (param%discard_out == "") return @@ -353,9 +340,9 @@ module subroutine symba_io_write_discard(self, param) if (pl_discards%nbody == 0) return select case(param%out_stat) case('APPEND') - open(unit = LUN, file = param%discard_out, status = 'OLD', position = 'APPEND', form = 'FORMATTED', iostat = ierr) + open(unit = LUN, file = param%discard_out, status = 'OLD', position = 'APPEND', form = 'FORMATTED', err = 667, iomsg = errmsg) case('NEW', 'REPLACE', 'UNKNOWN') - open(unit = LUN, file = param%discard_out, status = param%out_stat, form = 'FORMATTED', iostat = ierr) + open(unit = LUN, file = param%discard_out, status = param%out_stat, form = 'FORMATTED', err = 667, iomsg = errmsg) case default write(*,*) 'Invalid status code for OUT_STAT: ',trim(adjustl(param%out_stat)) call util_exit(FAILURE) @@ -366,7 +353,7 @@ module subroutine symba_io_write_discard(self, param) call pl_adds%pv2v(param) end if - write(LUN, HDRFMT) param%t, pl_discards%nbody, param%lbig_discard + write(LUN, HDRFMT, err = 667, iomsg = errmsg) param%t, pl_discards%nbody, param%lbig_discard iadd = 1 isub = 1 do while (iadd <= pl_adds%nbody) @@ -374,9 +361,9 @@ module subroutine symba_io_write_discard(self, param) nsub = pl_discards%ncomp(isub) do j = 1, nadd if (iadd <= pl_adds%nbody) then - write(LUN, NAMEFMT) ADD, pl_adds%id(iadd), pl_adds%status(iadd) - write(LUN, VECFMT) pl_adds%xh(1, iadd), pl_adds%xh(2, iadd), pl_adds%xh(3, iadd) - write(LUN, VECFMT) pl_adds%vh(1, iadd), pl_adds%vh(2, iadd), pl_adds%vh(3, iadd) + write(LUN, NAMEFMT, err = 667, iomsg = errmsg) ADD, pl_adds%id(iadd), pl_adds%status(iadd) + write(LUN, VECFMT, err = 667, iomsg = errmsg) pl_adds%xh(1, iadd), pl_adds%xh(2, iadd), pl_adds%xh(3, iadd) + write(LUN, VECFMT, err = 667, iomsg = errmsg) pl_adds%vh(1, iadd), pl_adds%vh(2, iadd), pl_adds%vh(3, iadd) else exit end if @@ -384,9 +371,9 @@ module subroutine symba_io_write_discard(self, param) end do do j = 1, nsub if (isub <= pl_discards%nbody) then - write(LUN, NAMEFMT) SUB, pl_discards%id(isub), pl_discards%status(isub) - write(LUN, VECFMT) pl_discards%xh(1, isub), pl_discards%xh(2, isub), pl_discards%xh(3, isub) - write(LUN, VECFMT) pl_discards%vh(1, isub), pl_discards%vh(2, isub), pl_discards%vh(3, isub) + write(LUN, NAMEFMT, err = 667, iomsg = errmsg) SUB, pl_discards%id(isub), pl_discards%status(isub) + write(LUN, VECFMT, err = 667, iomsg = errmsg) pl_discards%xh(1, isub), pl_discards%xh(2, isub), pl_discards%xh(3, isub) + write(LUN, VECFMT, err = 667, iomsg = errmsg) pl_discards%vh(1, isub), pl_discards%vh(2, isub), pl_discards%vh(3, isub) else exit end if @@ -399,6 +386,10 @@ module subroutine symba_io_write_discard(self, param) end associate return + + 667 continue + write(*,*) "Error writing discard file: " // trim(adjustl(errmsg)) + call util_exit(FAILURE) end subroutine symba_io_write_discard end submodule s_symba_io diff --git a/src/symba/symba_setup.f90 b/src/symba/symba_setup.f90 index e4644f25e..3fe7c21c5 100644 --- a/src/symba/symba_setup.f90 +++ b/src/symba/symba_setup.f90 @@ -79,7 +79,7 @@ module subroutine symba_setup_initialize_system(self, param) call system%plplcollision_list%setup(0) select type(pl => system%pl) class is (symba_pl) - call pl%sort("mass", ascending=.false.) + !call pl%sort("mass", ascending=.false.) select type(param) class is (symba_parameters) pl%lmtiny(:) = pl%Gmass(:) > param%GMTINY diff --git a/src/whm/whm_setup.f90 b/src/whm/whm_setup.f90 index eaed16c14..4f9bc6bcf 100644 --- a/src/whm/whm_setup.f90 +++ b/src/whm/whm_setup.f90 @@ -79,7 +79,7 @@ module subroutine whm_setup_initialize_system(self, param) call setup_initialize_system(self, param) ! First we need to make sure that the massive bodies are sorted by heliocentric distance before computing jacobies call util_set_ir3h(self%pl) - call self%pl%sort("ir3h", ascending=.false.) + !call self%pl%sort("ir3h", ascending=.false.) ! Make sure that the discard list gets allocated initially call self%tp_discards%setup(0, param) From e6507f775967afe1e354793dc461f2fdd1b5f454 Mon Sep 17 00:00:00 2001 From: David A Minton Date: Thu, 12 Aug 2021 10:31:18 -0400 Subject: [PATCH 02/36] Added Swifter/Swiftest comparison using Jennifer's Mars disk sim (merging only) --- .../symba_swifter_comparison/mars_disk/cb.in | 7 + .../mars_disk/param.swifter.in | 27 + .../mars_disk/param.swiftest.in | 32 + .../mars_disk/pl.swifter.in | 6004 +++++++++++ .../mars_disk/pl.swiftest.in | 9001 +++++++++++++++++ .../symba_swifter_comparison/mars_disk/tp.in | 1 + 6 files changed, 15072 insertions(+) create mode 100644 examples/symba_swifter_comparison/mars_disk/cb.in create mode 100644 examples/symba_swifter_comparison/mars_disk/param.swifter.in create mode 100644 examples/symba_swifter_comparison/mars_disk/param.swiftest.in create mode 100644 examples/symba_swifter_comparison/mars_disk/pl.swifter.in create mode 100644 examples/symba_swifter_comparison/mars_disk/pl.swiftest.in create mode 100644 examples/symba_swifter_comparison/mars_disk/tp.in diff --git a/examples/symba_swifter_comparison/mars_disk/cb.in b/examples/symba_swifter_comparison/mars_disk/cb.in new file mode 100644 index 000000000..c9dafacfd --- /dev/null +++ b/examples/symba_swifter_comparison/mars_disk/cb.in @@ -0,0 +1,7 @@ +0 ! id +4.28388662e+13 ! G*mass +3389500.0 ! radius +0.0 ! J2 +0.0 ! J4 +0.4 0.4 0.4 ! Ip +0.0 0.0 0.0 ! rot diff --git a/examples/symba_swifter_comparison/mars_disk/param.swifter.in b/examples/symba_swifter_comparison/mars_disk/param.swifter.in new file mode 100644 index 000000000..f5cbe9a08 --- /dev/null +++ b/examples/symba_swifter_comparison/mars_disk/param.swifter.in @@ -0,0 +1,27 @@ +T0 0.0 +TSTOP 6000.0 +DT 600.0 +PL_IN pl.swifter.in +TP_IN tp.in +IN_TYPE ASCII +ISTEP_OUT 1 +ISTEP_DUMP 1 +BIN_OUT bin.swifter.dat +OUT_TYPE REAL8 +OUT_FORM XV +OUT_STAT UNKNOWN +J2 0.0 +J4 0.0 +CHK_CLOSE yes +CHK_RMIN 3389500.0 +CHK_RMAX 3389500000.0 +CHK_EJECT 3389500000.0 +CHK_QMIN 3389500.0 +CHK_QMIN_COORD HELIO +CHK_QMIN_RANGE 3389500.0 338950000000.0 +ENC_OUT /dev/null +EXTRA_FORCE no +BIG_DISCARD no +RHILL_PRESENT yes +WALLTIME yes +ENERGY yes diff --git a/examples/symba_swifter_comparison/mars_disk/param.swiftest.in b/examples/symba_swifter_comparison/mars_disk/param.swiftest.in new file mode 100644 index 000000000..406344ff0 --- /dev/null +++ b/examples/symba_swifter_comparison/mars_disk/param.swiftest.in @@ -0,0 +1,32 @@ +!Parameter file for the SyMBA-RINGMOONS test +T0 0.0 +TSTOP 6000.0 +DT 600.0 +PL_IN pl.swiftest.in +TP_IN tp.in +IN_TYPE ASCII +ISTEP_OUT 1 +ISTEP_DUMP 1 +BIN_OUT bin.swiftest.dat +PARTICLE_OUT particle.dat +OUT_TYPE REAL8 +OUT_FORM XV +OUT_STAT REPLACE +CHK_CLOSE yes +CHK_RMIN 3389500.0 +CHK_RMAX 3389500000.0 +CHK_EJECT 3389500000.0 +CHK_QMIN 3389500.0 +CHK_QMIN_COORD HELIO +CHK_QMIN_RANGE 3389500.0 338950000000.0 +EXTRA_FORCE no +BIG_DISCARD no +RHILL_PRESENT yes +GMTINY 1000.0 +ENERGY yes +FRAGMENTATION no +ROTATION yes +MU2KG 1.0 +DU2M 1.0 +TU2S 1.0 +SEED 2 3080983 2220830 diff --git a/examples/symba_swifter_comparison/mars_disk/pl.swifter.in b/examples/symba_swifter_comparison/mars_disk/pl.swifter.in new file mode 100644 index 000000000..09a72ef61 --- /dev/null +++ b/examples/symba_swifter_comparison/mars_disk/pl.swifter.in @@ -0,0 +1,6004 @@ +1501 ! Mars System in SI units +1 4.28388662e+13 +.0 .0 .0 ! x y z +.0 .0 .0 !vx vy vz +727 1.71022032e+06 2.13948145e+04 ! particle number mass Rhill +1.24108926e+04 !particle radius in m +-8.12608230e+06 -4.37306608e+06 -9.62736144e+03 ! x y z +9.87984575e+02 -1.88769371e+03 1.06882012e+01 ! vx vy vz +231 6.25152932e+05 1.58916481e+04 ! particle number mass Rhill +8.87389776e+03 !particle radius in m +-8.21586374e+06 -4.28792953e+06 2.41010139e+04 ! x y z +1.01581225e+03 -1.90933511e+03 -2.60449634e+00 ! vx vy vz +2 9.90685589e+04 8.35558297e+03 ! particle number mass Rhill +7.07643092e+03 !particle radius in m +-2.35807426e+06 8.60445552e+06 1.25224401e+04 ! x y z +-2.13373621e+03 -5.91159549e+02 -1.46482980e+00 ! vx vy vz +3 3.17438752e+04 6.69500494e+03 ! particle number mass Rhill +4.84234399e+03 !particle radius in m +-8.01160007e+06 -6.93642997e+06 1.51456130e+04 ! x y z +1.31205897e+03 -1.53256580e+03 -1.41252951e-01 ! vx vy vz +4 3.98556011e+05 1.56022902e+04 ! particle number mass Rhill +1.12546530e+04 !particle radius in m +8.10802666e+05 1.07743901e+07 2.02908991e+04 ! x y z +-1.97583939e+03 1.47020293e+02 2.81847341e-01 ! vx vy vz +5 1.44988335e+05 1.52187807e+04 ! particle number mass Rhill +5.45209420e+03 !particle radius in m +1.19634122e+07 -8.10716246e+06 -5.95532256e+04 ! x y z +9.82512278e+02 1.42576317e+03 8.88854207e+00 ! vx vy vz +6 3.78500932e+05 1.43710361e+04 ! particle number mass Rhill +7.50714229e+03 !particle radius in m +-9.39611249e+06 3.86341011e+06 4.12677461e+04 ! x y z +-8.05714130e+02 -1.87378063e+03 1.44571432e+01 ! vx vy vz +7 4.22792487e+05 1.91833939e+04 ! particle number mass Rhill +7.78923399e+03 !particle radius in m +-4.75251420e+06 -1.21243281e+07 -4.63584868e+04 ! x y z +1.67483168e+03 -6.72935315e+02 -2.51894419e+00 ! vx vy vz +8 7.71745838e+05 2.46689817e+04 ! particle number mass Rhill +9.51941869e+03 !particle radius in m +-1.85450966e+06 -1.34716389e+07 8.25492639e+04 ! x y z +1.75187299e+03 -2.73602528e+02 -3.13786565e+00 ! vx vy vz +9 9.61893115e+05 2.40394481e+04 ! particle number mass Rhill +1.02445905e+04 !particle radius in m +1.23514674e+07 2.68920661e+05 1.39262437e+04 ! 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Ip +0.0 0.0 0.0 ! rot +1475 2.82996551e+04 5.59807489e+03 ! particle number mass Rhill +4.66046628e+03 !particle radius in m +-9.02931313e+06 1.40224619e+06 -7.68912993e+03 ! x y z +-3.55553612e+02 -2.15150134e+03 1.02691019e+01 ! vx vy vz +0.4 0.4 0.4 ! Ip +0.0 0.0 0.0 ! rot +1476 1.08035073e+05 8.74419607e+03 ! particle number mass Rhill +7.28378715e+03 !particle radius in m +-2.13040703e+06 9.05085932e+06 2.75232896e+04 ! x y z +-2.09375359e+03 -4.54923992e+02 -6.60791548e+00 ! vx vy vz +0.4 0.4 0.4 ! Ip +0.0 0.0 0.0 ! rot +1477 6.82388851e+04 9.03381717e+03 ! particle number mass Rhill +4.24094823e+03 !particle radius in m +2.12770208e+06 -1.09362652e+07 6.56462507e+04 ! x y z +1.92901319e+03 3.58659857e+02 1.88568450e+01 ! vx vy vz +0.4 0.4 0.4 ! Ip +0.0 0.0 0.0 ! rot +1478 1.71725563e+06 3.27614334e+04 ! particle number mass Rhill +1.24278875e+04 !particle radius in m +4.49722640e+06 1.29879609e+07 6.17022585e+04 ! x y z +-1.66361829e+03 6.02542134e+02 -3.15731575e-01 ! vx vy vz +0.4 0.4 0.4 ! Ip +0.0 0.0 0.0 ! rot +1479 4.31736407e+05 1.33145899e+04 ! particle number mass Rhill +1.15586882e+04 !particle radius in m +-2.46270150e+05 -8.94568869e+06 -6.37006664e+04 ! x y z +2.17872017e+03 -8.88856930e+01 -1.82962039e+01 ! vx vy vz +0.4 0.4 0.4 ! Ip +0.0 0.0 0.0 ! rot +1480 4.69987554e+05 1.50577774e+04 ! particle number mass Rhill +8.06890215e+03 !particle radius in m +-7.68511313e+06 -6.12228878e+06 -9.32586560e+03 ! x y z +1.29882576e+03 -1.62777018e+03 -1.19293575e+01 ! vx vy vz +0.4 0.4 0.4 ! Ip +0.0 0.0 0.0 ! rot +1481 1.17648820e+05 8.85436283e+03 ! particle number mass Rhill +7.49373241e+03 !particle radius in m +-8.92478393e+06 1.31107857e+06 -7.25655485e+04 ! x y z +-2.98094429e+02 -2.17047563e+03 -1.53783344e+01 ! vx vy vz +0.4 0.4 0.4 ! Ip +0.0 0.0 0.0 ! rot +1482 1.06595743e+05 1.08697806e+04 ! particle number mass Rhill +7.25129561e+03 !particle radius in m +-6.57681719e+06 -9.45888345e+06 -3.72144545e+04 ! x y z +1.58522928e+03 -1.10501157e+03 1.05113370e-01 ! vx vy vz +0.4 0.4 0.4 ! Ip +0.0 0.0 0.0 ! rot +1483 2.40181521e+05 2.05658561e+04 ! particle number mass Rhill +9.50638765e+03 !particle radius in m +1.34071651e+07 1.03792566e+07 -4.53441732e+04 ! x y z +-9.71553194e+02 1.24234337e+03 9.20294843e+00 ! vx vy vz +0.4 0.4 0.4 ! Ip +0.0 0.0 0.0 ! rot +1484 2.30979462e+05 1.61646706e+04 ! particle number mass Rhill +6.36761483e+03 !particle radius in m +-3.51077302e+06 -1.26567098e+07 2.57715830e+04 ! x y z +1.74422450e+03 -5.08580589e+02 2.03158207e-01 ! vx vy vz +0.4 0.4 0.4 ! Ip +0.0 0.0 0.0 ! rot +1485 1.30379505e+05 1.26014074e+04 ! particle number mass Rhill +5.26245957e+03 !particle radius in m +2.88059988e+06 -1.21489772e+07 1.66531109e+03 ! x y z +1.80288747e+03 4.42317052e+02 -1.19583569e+01 ! vx vy vz +0.4 0.4 0.4 ! Ip +0.0 0.0 0.0 ! rot +1486 5.14863696e+05 1.57196952e+04 ! particle number mass Rhill +8.31795219e+03 !particle radius in m +-5.79801378e+06 7.81844110e+06 7.21651425e+04 ! x y z +-1.66669076e+03 -1.30229321e+03 -2.20360225e+00 ! vx vy vz +0.4 0.4 0.4 ! Ip +0.0 0.0 0.0 ! rot +1487 1.26463086e+06 1.90076383e+04 ! particle number mass Rhill +1.12229473e+04 !particle radius in m +1.79079043e+06 8.72935614e+06 7.66173175e+03 ! x y z +-2.14494592e+03 4.29349753e+02 -3.05321261e+00 ! vx vy vz +0.4 0.4 0.4 ! Ip +0.0 0.0 0.0 ! rot +1488 1.10279394e+06 2.94811703e+04 ! particle number mass Rhill +1.07221971e+04 !particle radius in m +-1.31449667e+07 5.65642590e+06 -1.35348879e+04 ! x y z +-6.99474388e+02 -1.58839301e+03 5.07187025e+00 ! vx vy vz +0.4 0.4 0.4 ! Ip +0.0 0.0 0.0 ! rot +1489 9.64986931e+05 2.60335138e+04 ! particle number mass Rhill +1.02555622e+04 !particle radius in m +-1.28107010e+07 3.64301270e+06 -4.79094708e+04 ! x y z +-4.96849501e+02 -1.72146269e+03 1.99970261e+01 ! vx vy vz +0.4 0.4 0.4 ! Ip +0.0 0.0 0.0 ! rot +1490 3.85017463e+05 1.31518104e+04 ! particle number mass Rhill +7.54998008e+03 !particle radius in m +-8.81052520e+06 1.96363775e+06 -7.03542162e+04 ! x y z +-4.55600237e+02 -2.14195252e+03 -1.54510587e+01 ! vx vy vz +0.4 0.4 0.4 ! Ip +0.0 0.0 0.0 ! rot +1491 7.12464696e+04 7.27507090e+03 ! particle number mass Rhill +4.30236032e+03 !particle radius in m +6.76054921e+06 5.69153857e+06 -8.32813680e+04 ! x y z +-1.43863210e+03 1.66962801e+03 -3.05680786e+00 ! vx vy vz +0.4 0.4 0.4 ! Ip +0.0 0.0 0.0 ! rot +1492 2.30337841e+05 1.99962209e+04 ! particle number mass Rhill +9.37470089e+03 !particle radius in m +-1.58533753e+07 -4.64141565e+06 -1.37616342e+05 ! x y z +4.71661565e+02 -1.53679456e+03 4.54920894e+00 ! vx vy vz +0.4 0.4 0.4 ! Ip +0.0 0.0 0.0 ! rot +1493 1.54078080e+05 1.40811002e+04 ! particle number mass Rhill +5.56372876e+03 !particle radius in m +-5.05912024e+06 1.20461614e+07 -1.00213774e+05 ! x y z +-1.67920042e+03 -7.11202226e+02 4.13175962e+00 ! vx vy vz +0.4 0.4 0.4 ! Ip +0.0 0.0 0.0 ! rot +1494 8.27228641e+04 9.01203219e+03 ! particle number mass Rhill +6.66362952e+03 !particle radius in m +8.41034459e+05 -1.03591089e+07 -4.26263251e+04 ! x y z +2.02679172e+03 1.77245292e+02 -7.59374588e+00 ! vx vy vz +0.4 0.4 0.4 ! Ip +0.0 0.0 0.0 ! rot +1495 6.59711957e+04 7.21319042e+03 ! particle number mass Rhill +4.19344015e+03 !particle radius in m +-8.72674150e+06 -1.84604826e+06 -9.49439666e+03 ! x y z +5.06255038e+02 -2.14329601e+03 8.35004981e+00 ! vx vy vz +0.4 0.4 0.4 ! Ip +0.0 0.0 0.0 ! rot +1496 4.76016816e+05 1.56977540e+04 ! particle number mass Rhill +1.19410657e+04 !particle radius in m +8.32975138e+06 5.59994962e+06 1.36490477e+04 ! x y z +-1.14500563e+03 1.73284125e+03 2.21368330e+00 ! vx vy vz +0.4 0.4 0.4 ! Ip +0.0 0.0 0.0 ! rot +1497 8.74132422e+05 1.84842648e+04 ! particle number mass Rhill +9.92303995e+03 !particle radius in m +5.20187427e+06 8.26928364e+06 7.79156795e+04 ! x y z +-1.78869520e+03 1.08594628e+03 -2.89543422e+00 ! vx vy vz +0.4 0.4 0.4 ! Ip +0.0 0.0 0.0 ! rot +1498 1.05100593e+06 1.88653392e+04 ! particle number mass Rhill +1.05516583e+04 !particle radius in m +-3.97296892e+06 -8.38171851e+06 1.59358464e+04 ! x y z +1.95617296e+03 -9.13960827e+02 -3.62965884e-01 ! vx vy vz +0.4 0.4 0.4 ! Ip +0.0 0.0 0.0 ! rot +1499 4.64374943e+05 2.44967912e+04 ! particle number mass Rhill +8.03665372e+03 !particle radius in m +8.20764080e+05 -1.58893023e+07 7.87114038e+04 ! x y z +1.64101205e+03 9.20364252e+01 9.68548448e+00 ! vx vy vz +0.4 0.4 0.4 ! Ip +0.0 0.0 0.0 ! rot +1500 7.98550448e+05 3.23468692e+04 ! particle number mass Rhill +9.62837764e+03 !particle radius in m +-9.69224879e+06 1.49532038e+07 7.33593405e+04 ! x y z +-1.29931651e+03 -8.27698792e+02 -3.16602237e+00 ! vx vy vz +0.4 0.4 0.4 ! Ip +0.0 0.0 0.0 ! rot +1501 7.54058320e+04 8.18405513e+03 ! particle number mass Rhill +4.38450573e+03 !particle radius in m +-5.62663613e+06 7.91766436e+06 2.60207243e+04 ! x y z +-1.74178290e+03 -1.18522553e+03 2.27430689e+00 ! vx vy vz +0.4 0.4 0.4 ! Ip +0.0 0.0 0.0 ! rot diff --git a/examples/symba_swifter_comparison/mars_disk/tp.in b/examples/symba_swifter_comparison/mars_disk/tp.in new file mode 100644 index 000000000..c22708346 --- /dev/null +++ b/examples/symba_swifter_comparison/mars_disk/tp.in @@ -0,0 +1 @@ +0 \ No newline at end of file From 598ffa5434dcade4d6affeb56881a2c36f532573 Mon Sep 17 00:00:00 2001 From: David A Minton Date: Thu, 12 Aug 2021 11:13:17 -0400 Subject: [PATCH 03/36] Fixed issue where merged bodies were being added to the particle information file, causing duplication of ids when reading. Also changed it so that the largest body in the hit-and-run retains its original identity. --- src/io/io.f90 | 1 - src/modules/swiftest_globals.f90 | 2 ++ src/symba/symba_discard.f90 | 1 - src/symba/symba_fragmentation.f90 | 32 ++++++++++++++++++++++--------- src/symba/symba_util.f90 | 6 +++++- 5 files changed, 30 insertions(+), 12 deletions(-) diff --git a/src/io/io.f90 b/src/io/io.f90 index c34c896a9..c5519975f 100644 --- a/src/io/io.f90 +++ b/src/io/io.f90 @@ -883,7 +883,6 @@ module subroutine io_read_cb_in(self, param) integer(I4B) :: iu = LUN character(len=STRMAX) :: errmsg - write(*,*) "Reading central body file " // trim(adjustl(param%incbfile)) if (param%in_type == 'ASCII') then open(unit = iu, file = param%incbfile, status = 'old', form = 'FORMATTED', err = 667, iomsg = errmsg) read(iu, *, err = 667, iomsg = errmsg) self%id diff --git a/src/modules/swiftest_globals.f90 b/src/modules/swiftest_globals.f90 index 6cacac789..bf070e162 100644 --- a/src/modules/swiftest_globals.f90 +++ b/src/modules/swiftest_globals.f90 @@ -87,6 +87,8 @@ module swiftest_globals integer(I4B), parameter :: GRAZE_AND_MERGE = -11 integer(I4B), parameter :: HIT_AND_RUN = -12 integer(I4B), parameter :: COLLISION = -13 + integer(I4B), parameter :: NEW_PARTICLE = -14 + integer(I4B), parameter :: OLD_PARTICLE = -15 !>Symbolic names for collisional outcomes from collresolve_resolve: integer(I4B), parameter :: COLLRESOLVE_REGIME_MERGE = 1 diff --git a/src/symba/symba_discard.f90 b/src/symba/symba_discard.f90 index 3d9be1282..486efcc2c 100644 --- a/src/symba/symba_discard.f90 +++ b/src/symba/symba_discard.f90 @@ -156,7 +156,6 @@ subroutine symba_discard_conserve_mtm(pl, system, param, ipl, lescape_body) end select return - end subroutine symba_discard_conserve_mtm diff --git a/src/symba/symba_fragmentation.f90 b/src/symba/symba_fragmentation.f90 index 5a2d49bd6..13cad78a7 100644 --- a/src/symba/symba_fragmentation.f90 +++ b/src/symba/symba_fragmentation.f90 @@ -431,7 +431,6 @@ subroutine symba_fragmentation_mergeaddsub(system, param, family, id_frag, Ip_fr plnew%id(:) = id_frag(:) system%maxid = system%maxid + nfrag - plnew%status(:) = ACTIVE plnew%lcollision(:) = .false. plnew%ldiscard(:) = .false. plnew%xb(:,:) = xb_frag(:, :) @@ -448,31 +447,46 @@ subroutine symba_fragmentation_mergeaddsub(system, param, family, id_frag, Ip_fr select case(status) case(DISRUPTION) plnew%info(:)%origin_type = "Disruption" + plnew%status(:) = NEW_PARTICLE + plnew%info(:)%origin_time = param%t + do i = 1, nfrag + plnew%info(i)%origin_xh(:) = plnew%xh(:,i) + plnew%info(i)%origin_vh(:) = plnew%vh(:,i) + end do case(SUPERCATASTROPHIC) plnew%info(:)%origin_type = "Supercatastrophic" - case(HIT_AND_RUN) - plnew%info(:)%origin_type = "Hit and run fragment" - case(MERGED) - plnew%info(1) = pl%info(ibiggest) - end select - - if (status /= MERGED) then + plnew%status(:) = NEW_PARTICLE plnew%info(:)%origin_time = param%t do i = 1, nfrag plnew%info(i)%origin_xh(:) = plnew%xh(:,i) plnew%info(i)%origin_vh(:) = plnew%vh(:,i) end do - end if + case(HIT_AND_RUN) + plnew%info(1) = pl%info(ibiggest) + plnew%status(1) = OLD_PARTICLE + plnew%status(2:nfrag) = NEW_PARTICLE + plnew%info(2:nfrag)%origin_type = "Hit and run fragment" + plnew%info(2:nfrag)%origin_time = param%t + do i = 2, nfrag + plnew%info(i)%origin_xh(:) = plnew%xh(:,i) + plnew%info(i)%origin_vh(:) = plnew%vh(:,i) + end do + case(MERGED) + plnew%info(1) = pl%info(ibiggest) + plnew%status(1) = OLD_PARTICLE + end select if (param%lrotation) then plnew%Ip(:,:) = Ip_frag(:,:) plnew%rot(:,:) = rot_frag(:,:) end if + if (param%ltides) then plnew%Q = pl%Q(ibiggest) plnew%k2 = pl%k2(ibiggest) plnew%tlag = pl%tlag(ibiggest) end if + call plnew%set_mu(cb) pl%lmtiny(:) = pl%Gmass(:) > param%GMTINY diff --git a/src/symba/symba_util.f90 b/src/symba/symba_util.f90 index 8ee7da8ea..d55e7a0c7 100644 --- a/src/symba/symba_util.f90 +++ b/src/symba/symba_util.f90 @@ -381,6 +381,7 @@ module subroutine symba_util_rearray_pl(self, system, param) allocate(lmask, source=pl%ldiscard(:)) lmask(:) = lmask(:) .or. pl%status(:) == INACTIVE call pl%spill(tmp, lspill_list=lmask, ldestructive=.true.) + deallocate(lmask) call tmp%setup(0,param) deallocate(tmp) @@ -391,7 +392,10 @@ module subroutine symba_util_rearray_pl(self, system, param) ! Add in any new bodies if (pl_adds%nbody > 0) then call pl%append(pl_adds, lsource_mask=[(.true., i=1, pl_adds%nbody)]) - call symba_io_dump_particle_info(system, param, plidx=[(i, i = 1, pl%nbody)]) + allocate(lmask(pl%nbody)) + lmask(:) = pl%status(1:pl%nbody) == NEW_PARTICLE + call symba_io_dump_particle_info(system, param, plidx=pack([(i, i=1, pl%nbody)], lmask)) + where(pl%status(:) /= INACTIVE) pl%status(:) = ACTIVE end if ! If there are still bodies in the system, sort by mass in descending order and re-index From 3861157bbf959e58c6c134a4f921c818f8225efd Mon Sep 17 00:00:00 2001 From: David A Minton Date: Thu, 12 Aug 2021 12:02:25 -0400 Subject: [PATCH 04/36] Restructured the collision check to return a logical flag. Refactored the SyMBA encounter list classes so that pltp and plpl are each descended from a common symba_encounter class, to clarify the polymorphic subroutines --- src/modules/symba_classes.f90 | 71 ++++++++++++++++------------- src/symba/symba_collision.f90 | 23 ++++++---- src/symba/symba_encounter_check.f90 | 6 +-- src/symba/symba_kick.f90 | 12 ++--- src/symba/symba_setup.f90 | 6 +-- src/symba/symba_step.f90 | 6 +-- src/symba/symba_util.f90 | 10 ++-- 7 files changed, 75 insertions(+), 59 deletions(-) diff --git a/src/modules/symba_classes.f90 b/src/modules/symba_classes.f90 index 6a69adcc7..1e0b1b3b0 100644 --- a/src/modules/symba_classes.f90 +++ b/src/modules/symba_classes.f90 @@ -129,29 +129,37 @@ module symba_classes procedure :: spill => symba_util_spill_tp !! "Spills" bodies from one object to another depending on the results of a mask (uses the PACK intrinsic) end type symba_tp + !******************************************************************************************************************************** + ! symba_encounter class definitions and method interfaces + !******************************************************************************************************************************* + !> SyMBA class for tracking close encounters in a step + type, extends(swiftest_encounter) :: symba_encounter + integer(I4B), dimension(:), allocatable :: level !! encounter recursion level + contains + procedure :: collision_check => symba_collision_check_encounter !! Checks if a test particle is going to collide with a massive body + procedure :: encounter_check => symba_encounter_check !! Checks if massive bodies are going through close encounters with each other + procedure :: kick => symba_kick_encounter !! Kick barycentric velocities of active test particles within SyMBA recursion + procedure :: setup => symba_setup_encounter !! A constructor that sets the number of encounters and allocates and initializes all arrays + procedure :: spill => symba_util_spill_encounter !! "Spills" bodies from one object to another depending on the results of a mask (uses the PACK intrinsic) + end type symba_encounter + !******************************************************************************************************************************** ! symba_pltpenc class definitions and method interfaces !******************************************************************************************************************************* !> SyMBA class for tracking pl-tp close encounters in a step - type, extends(swiftest_encounter) :: symba_pltpenc - integer(I4B), dimension(:), allocatable :: level !! encounter recursion level + type, extends(symba_encounter) :: symba_pltpenc contains - procedure :: collision_check => symba_collision_check_pltpenc !! Checks if a test particle is going to collide with a massive body - procedure :: encounter_check => symba_encounter_check_pltpenc !! Checks if massive bodies are going through close encounters with each other - procedure :: kick => symba_kick_pltpenc !! Kick barycentric velocities of active test particles within SyMBA recursion - procedure :: setup => symba_setup_pltpenc !! A constructor that sets the number of encounters and allocates and initializes all arrays - procedure :: spill => symba_util_spill_pltpenc !! "Spills" bodies from one object to another depending on the results of a mask (uses the PACK intrinsic) end type symba_pltpenc !******************************************************************************************************************************** ! symba_plplenc class definitions and method interfaces !******************************************************************************************************************************* !> SyMBA class for tracking pl-pl close encounters in a step - type, extends(symba_pltpenc) :: symba_plplenc + type, extends(symba_encounter) :: symba_plplenc contains - procedure :: extract_collisions => symba_collision_encounter_extract_collisions !! Processes the pl-pl encounter list remove only those encounters that led to a collision - procedure :: resolve_fragmentations => symba_collision_resolve_fragmentations !! Process list of collisions, determine the collisional regime, and then create fragments - procedure :: resolve_mergers => symba_collision_resolve_mergers !! Process list of collisions and merge colliding bodies together + procedure :: extract_collisions => symba_collision_encounter_extract_collisions !! Processes the pl-pl encounter list remove only those encounters that led to a collision + procedure :: resolve_fragmentations => symba_collision_resolve_fragmentations !! Process list of collisions, determine the collisional regime, and then create fragments + procedure :: resolve_mergers => symba_collision_resolve_mergers !! Process list of collisions and merge colliding bodies together end type symba_plplenc !******************************************************************************************************************************** @@ -174,16 +182,17 @@ module symba_classes end type symba_nbody_system interface - module subroutine symba_collision_check_pltpenc(self, system, param, t, dt, irec) + module function symba_collision_check_encounter(self, system, param, t, dt, irec) result(lany_collision) use swiftest_classes, only : swiftest_parameters implicit none - class(symba_pltpenc), intent(inout) :: self !! SyMBA pl-tp encounter list object - class(symba_nbody_system), intent(inout) :: system !! SyMBA nbody system object - class(swiftest_parameters), intent(in) :: param !! Current run configuration parameters - real(DP), intent(in) :: t !! current time - real(DP), intent(in) :: dt !! step size - integer(I4B), intent(in) :: irec !! Current recursion level - end subroutine symba_collision_check_pltpenc + class(symba_encounter), intent(inout) :: self !! SyMBA pl-tp encounter list object + class(symba_nbody_system), intent(inout) :: system !! SyMBA nbody system object + class(swiftest_parameters), intent(in) :: param !! Current run configuration parameters + real(DP), intent(in) :: t !! current time + real(DP), intent(in) :: dt !! step size + integer(I4B), intent(in) :: irec !! Current recursion level + logical :: lany_collision !! Returns true if cany pair of encounters resulted in a collision n + end function symba_collision_check_encounter module subroutine symba_collision_encounter_extract_collisions(self, system, param) implicit none @@ -255,14 +264,14 @@ module function symba_encounter_check_pl(self, system, dt, irec) result(lany_enc logical :: lany_encounter !! Returns true if there is at least one close encounter end function symba_encounter_check_pl - module function symba_encounter_check_pltpenc(self, system, dt, irec) result(lany_encounter) + module function symba_encounter_check(self, system, dt, irec) result(lany_encounter) implicit none - class(symba_pltpenc), intent(inout) :: self !! SyMBA pl-pl encounter list object + class(symba_encounter), intent(inout) :: self !! SyMBA pl-pl encounter list object class(symba_nbody_system), intent(inout) :: system !! SyMBA nbody system object real(DP), intent(in) :: dt !! step size integer(I4B), intent(in) :: irec !! Current recursion level logical :: lany_encounter !! Returns true if there is at least one close encounter - end function symba_encounter_check_pltpenc + end function symba_encounter_check module function symba_encounter_check_tp(self, system, dt, irec) result(lany_encounter) implicit none @@ -383,14 +392,14 @@ module subroutine symba_kick_getacch_tp(self, system, param, t, lbeg) logical, intent(in) :: lbeg !! Logical flag that determines whether or not this is the beginning or end of the step end subroutine symba_kick_getacch_tp - module subroutine symba_kick_pltpenc(self, system, dt, irec, sgn) + module subroutine symba_kick_encounter(self, system, dt, irec, sgn) implicit none - class(symba_pltpenc), intent(in) :: self !! SyMBA pl-tp encounter list object + class(symba_encounter), intent(in) :: self !! SyMBA pl-tp encounter list object class(symba_nbody_system), intent(inout) :: system !! SyMBA nbody system object real(DP), intent(in) :: dt !! step size integer(I4B), intent(in) :: irec !! Current recursion level integer(I4B), intent(in) :: sgn !! sign to be applied to acceleration - end subroutine symba_kick_pltpenc + end subroutine symba_kick_encounter module subroutine symba_setup_initialize_particle_info(system, param) implicit none @@ -421,11 +430,11 @@ module subroutine symba_setup_pl(self, n, param) class(swiftest_parameters), intent(in) :: param !! Current run configuration parameters end subroutine symba_setup_pl - module subroutine symba_setup_pltpenc(self,n) + module subroutine symba_setup_encounter(self,n) implicit none - class(symba_pltpenc), intent(inout) :: self !! SyMBA pl-tp encounter structure + class(symba_encounter), intent(inout) :: self !! SyMBA pl-tp encounter structure integer(I4B), intent(in) :: n !! Number of encounters to allocate space for - end subroutine symba_setup_pltpenc + end subroutine symba_setup_encounter module subroutine symba_setup_tp(self, n, param) use swiftest_classes, only : swiftest_parameters @@ -655,14 +664,14 @@ module subroutine symba_util_spill_pl(self, discards, lspill_list, ldestructive) logical, intent(in) :: ldestructive !! Logical flag indicating whether or not this operation should alter the keeps array or not end subroutine symba_util_spill_pl - module subroutine symba_util_spill_pltpenc(self, discards, lspill_list, ldestructive) + module subroutine symba_util_spill_encounter(self, discards, lspill_list, ldestructive) use swiftest_classes, only : swiftest_encounter implicit none - class(symba_pltpenc), intent(inout) :: self !! SyMBA pl-tp encounter list + class(symba_encounter), intent(inout) :: self !! SyMBA pl-tp encounter list class(swiftest_encounter), intent(inout) :: discards !! Discarded object logical, dimension(:), intent(in) :: lspill_list !! Logical array of bodies to spill into the discards logical, intent(in) :: ldestructive !! Logical flag indicating whether or not this operation should alter body by removing the discard list - end subroutine symba_util_spill_pltpenc + end subroutine symba_util_spill_encounter module subroutine symba_util_spill_tp(self, discards, lspill_list, ldestructive) use swiftest_classes, only : swiftest_body diff --git a/src/symba/symba_collision.f90 b/src/symba/symba_collision.f90 index b0e588300..0cb903fcf 100644 --- a/src/symba/symba_collision.f90 +++ b/src/symba/symba_collision.f90 @@ -2,7 +2,7 @@ use swiftest contains - module subroutine symba_collision_check_pltpenc(self, system, param, t, dt, irec) + module function symba_collision_check_encounter(self, system, param, t, dt, irec) result(lany_collision) !! author: David A. Minton !! !! Check for merger between massive bodies and test particles in SyMBA @@ -12,12 +12,14 @@ module subroutine symba_collision_check_pltpenc(self, system, param, t, dt, irec !! Adapted from Hal Levison's Swift routine symba5_merge.f implicit none ! Arguments - class(symba_pltpenc), intent(inout) :: self !! SyMBA pl-tp encounter list object - class(symba_nbody_system), intent(inout) :: system !! SyMBA nbody system object - class(swiftest_parameters), intent(in) :: param !! Current run configuration parameters - real(DP), intent(in) :: t !! current time - real(DP), intent(in) :: dt !! step size - integer(I4B), intent(in) :: irec !! Current recursion level + class(symba_encounter), intent(inout) :: self !! SyMBA pl-tp encounter list object + class(symba_nbody_system), intent(inout) :: system !! SyMBA nbody system object + class(swiftest_parameters), intent(in) :: param !! Current run configuration parameters + real(DP), intent(in) :: t !! current time + real(DP), intent(in) :: dt !! step size + integer(I4B), intent(in) :: irec !! Current recursion level + ! Result + logical :: lany_collision !! Returns true if cany pair of encounters resulted in a collision ! Internals logical, dimension(:), allocatable :: lcollision, lmask real(DP), dimension(NDIM) :: xr, vr @@ -25,7 +27,9 @@ module subroutine symba_collision_check_pltpenc(self, system, param, t, dt, irec real(DP) :: rlim, Gmtot logical :: isplpl + lany_collision = .false. if (self%nenc == 0) return + select type(self) class is (symba_plplenc) isplpl = .true. @@ -66,6 +70,7 @@ module subroutine symba_collision_check_pltpenc(self, system, param, t, dt, irec end do end if + do k = 1, nenc if (lcollision(k)) self%status(k) = COLLISION self%t(k) = t @@ -97,8 +102,10 @@ module subroutine symba_collision_check_pltpenc(self, system, param, t, dt, irec end select end select + lany_collision = any(lcollision(:)) + return - end subroutine symba_collision_check_pltpenc + end function symba_collision_check_encounter pure elemental function symba_collision_check_one(xr, yr, zr, vxr, vyr, vzr, Gmtot, rlim, dt, lvdotr) result(lcollision) diff --git a/src/symba/symba_encounter_check.f90 b/src/symba/symba_encounter_check.f90 index 808ee2347..326f5d257 100644 --- a/src/symba/symba_encounter_check.f90 +++ b/src/symba/symba_encounter_check.f90 @@ -56,7 +56,7 @@ module function symba_encounter_check_pl(self, system, dt, irec) result(lany_enc end function symba_encounter_check_pl - module function symba_encounter_check_pltpenc(self, system, dt, irec) result(lany_encounter) + module function symba_encounter_check(self, system, dt, irec) result(lany_encounter) !! author: David A. Minton !! !! Check for an encounter between test particles and massive bodies in the pltpenc list. @@ -65,7 +65,7 @@ module function symba_encounter_check_pltpenc(self, system, dt, irec) result(lan !! Adapted from portions of David E. Kaufmann's Swifter routine: symba_step_recur.f90 implicit none ! Arguments - class(symba_pltpenc), intent(inout) :: self !! SyMBA pl-pl encounter list object + class(symba_encounter), intent(inout) :: self !! SyMBA pl-pl encounter list object class(symba_nbody_system), intent(inout) :: system !! SyMBA nbody system object real(DP), intent(in) :: dt !! step size integer(I4B), intent(in) :: irec !! Current recursion level @@ -132,7 +132,7 @@ module function symba_encounter_check_pltpenc(self, system, dt, irec) result(lan end select return - end function symba_encounter_check_pltpenc + end function symba_encounter_check module function symba_encounter_check_tp(self, system, dt, irec) result(lany_encounter) diff --git a/src/symba/symba_kick.f90 b/src/symba/symba_kick.f90 index 7a98c2f69..c1de5a077 100644 --- a/src/symba/symba_kick.f90 +++ b/src/symba/symba_kick.f90 @@ -90,7 +90,7 @@ module subroutine symba_kick_getacch_tp(self, system, param, t, lbeg) end subroutine symba_kick_getacch_tp - module subroutine symba_kick_pltpenc(self, system, dt, irec, sgn) + module subroutine symba_kick_encounter(self, system, dt, irec, sgn) !! author: David A. Minton !! !! Kick barycentric velocities of massive bodies and ACTIVE test particles within SyMBA recursion. @@ -100,11 +100,11 @@ module subroutine symba_kick_pltpenc(self, system, dt, irec, sgn) !! Adapted from Hal Levison's Swift routine symba5_kick.f implicit none ! Arguments - class(symba_pltpenc), intent(in) :: self !! SyMBA pl-tp encounter list object + class(symba_encounter), intent(in) :: self !! SyMBA pl-tp encounter list object class(symba_nbody_system), intent(inout) :: system !! SyMBA nbody system object - real(DP), intent(in) :: dt !! step size - integer(I4B), intent(in) :: irec !! Current recursion level - integer(I4B), intent(in) :: sgn !! sign to be applied to acceleration + real(DP), intent(in) :: dt !! step size + integer(I4B), intent(in) :: irec !! Current recursion level + integer(I4B), intent(in) :: sgn !! sign to be applied to acceleration ! Internals integer(I4B) :: k, irm1, irecl real(DP) :: r, rr, ri, ris, rim1, r2, ir3, fac, faci, facj @@ -198,6 +198,6 @@ module subroutine symba_kick_pltpenc(self, system, dt, irec, sgn) end select return - end subroutine symba_kick_pltpenc + end subroutine symba_kick_encounter end submodule s_symba_kick \ No newline at end of file diff --git a/src/symba/symba_setup.f90 b/src/symba/symba_setup.f90 index 3fe7c21c5..d3f44f8a1 100644 --- a/src/symba/symba_setup.f90 +++ b/src/symba/symba_setup.f90 @@ -183,14 +183,14 @@ module subroutine symba_setup_pl(self, n, param) end subroutine symba_setup_pl - module subroutine symba_setup_pltpenc(self, n) + module subroutine symba_setup_encounter(self, n) !! author: David A. Minton !! !! A constructor that sets the number of encounters and allocates and initializes all arrays !! implicit none ! Arguments - class(symba_pltpenc), intent(inout) :: self !! SyMBA pl-tp encounter structure + class(symba_encounter), intent(inout) :: self !! SyMBA pl-tp encounter structure integer(I4B), intent(in) :: n !! Number of encounters to allocate space for call setup_encounter(self, n) @@ -202,7 +202,7 @@ module subroutine symba_setup_pltpenc(self, n) self%level(:) = -1 return - end subroutine symba_setup_pltpenc + end subroutine symba_setup_encounter module subroutine symba_setup_tp(self, n, param) diff --git a/src/symba/symba_step.f90 b/src/symba/symba_step.f90 index 847d6e4ee..3bc542c1d 100644 --- a/src/symba/symba_step.f90 +++ b/src/symba/symba_step.f90 @@ -163,7 +163,7 @@ module recursive subroutine symba_step_recur_system(self, param, t, ireci) integer(I4B) :: i, j, irecp, nloops real(DP) :: dtl, dth real(DP), dimension(NDIM) :: xr, vr - logical :: lencounter + logical :: lencounter, lplpl_collision, lpltp_collision associate(system => self, plplenc_list => self%plplenc_list, pltpenc_list => self%pltpenc_list) select type(pl => self%pl) @@ -209,8 +209,8 @@ module recursive subroutine symba_step_recur_system(self, param, t, ireci) end if if (param%lclose) then - call plplenc_list%collision_check(system, param, t+dtl, dtl, ireci) - call pltpenc_list%collision_check(system, param, t+dtl, dtl, ireci) + lplpl_collision = plplenc_list%collision_check(system, param, t+dtl, dtl, ireci) + lpltp_collision = pltpenc_list%collision_check(system, param, t+dtl, dtl, ireci) end if call self%set_recur_levels(ireci) diff --git a/src/symba/symba_util.f90 b/src/symba/symba_util.f90 index d55e7a0c7..05ee19f5e 100644 --- a/src/symba/symba_util.f90 +++ b/src/symba/symba_util.f90 @@ -826,14 +826,14 @@ module subroutine symba_util_spill_pl(self, discards, lspill_list, ldestructive) end subroutine symba_util_spill_pl - module subroutine symba_util_spill_pltpenc(self, discards, lspill_list, ldestructive) + module subroutine symba_util_spill_encounter(self, discards, lspill_list, ldestructive) !! author: David A. Minton !! !! Move spilled (discarded) SyMBA encounter structure from active list to discard list !! Note: Because the symba_plplenc currently does not contain any additional variable components, this method can recieve it as an input as well. implicit none ! Arguments - class(symba_pltpenc), intent(inout) :: self !! SyMBA pl-tp encounter list + class(symba_encounter), intent(inout) :: self !! SyMBA pl-tp encounter list class(swiftest_encounter), intent(inout) :: discards !! Discarded object logical, dimension(:), intent(in) :: lspill_list !! Logical array of bodies to spill into the discards logical, intent(in) :: ldestructive !! Logical flag indicating whether or not this operation should alter body by removing the discard list @@ -842,17 +842,17 @@ module subroutine symba_util_spill_pltpenc(self, discards, lspill_list, ldestruc associate(keeps => self, nenc => self%nenc) select type(discards) - class is (symba_pltpenc) + class is (symba_encounter) call util_spill(keeps%level, discards%level, lspill_list, ldestructive) call util_spill_encounter(keeps, discards, lspill_list, ldestructive) class default - write(*,*) "Invalid object passed to the spill method. Source must be of class symba_pltpenc or its descendents!" + write(*,*) "Invalid object passed to the spill method. Source must be of class symba_encounter or its descendents!" call util_exit(FAILURE) end select end associate return - end subroutine symba_util_spill_pltpenc + end subroutine symba_util_spill_encounter module subroutine symba_util_spill_tp(self, discards, lspill_list, ldestructive) From 1f793cb89c97bed2ef967aa75935139b0005e04b Mon Sep 17 00:00:00 2001 From: David A Minton Date: Thu, 12 Aug 2021 12:06:03 -0400 Subject: [PATCH 05/36] Re-enabled sorting of particles after testing --- src/symba/symba_step.f90 | 3 +++ src/whm/whm_setup.f90 | 2 +- 2 files changed, 4 insertions(+), 1 deletion(-) diff --git a/src/symba/symba_step.f90 b/src/symba/symba_step.f90 index 3bc542c1d..69d7e2cbd 100644 --- a/src/symba/symba_step.f90 +++ b/src/symba/symba_step.f90 @@ -211,6 +211,9 @@ module recursive subroutine symba_step_recur_system(self, param, t, ireci) if (param%lclose) then lplpl_collision = plplenc_list%collision_check(system, param, t+dtl, dtl, ireci) lpltp_collision = pltpenc_list%collision_check(system, param, t+dtl, dtl, ireci) + + if (lplpl_collision) call pl%discard(system, param) + if (lpltp_collision) call tp%discard(system, param) end if call self%set_recur_levels(ireci) diff --git a/src/whm/whm_setup.f90 b/src/whm/whm_setup.f90 index 4f9bc6bcf..eaed16c14 100644 --- a/src/whm/whm_setup.f90 +++ b/src/whm/whm_setup.f90 @@ -79,7 +79,7 @@ module subroutine whm_setup_initialize_system(self, param) call setup_initialize_system(self, param) ! First we need to make sure that the massive bodies are sorted by heliocentric distance before computing jacobies call util_set_ir3h(self%pl) - !call self%pl%sort("ir3h", ascending=.false.) + call self%pl%sort("ir3h", ascending=.false.) ! Make sure that the discard list gets allocated initially call self%tp_discards%setup(0, param) From 6ad5ffc5487e3c42e88ef8452d9bcf387d9585e8 Mon Sep 17 00:00:00 2001 From: David A Minton Date: Thu, 12 Aug 2021 12:06:30 -0400 Subject: [PATCH 06/36] Re-enabled sorting of particles after testing --- src/symba/symba_setup.f90 | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/symba/symba_setup.f90 b/src/symba/symba_setup.f90 index d3f44f8a1..307c37675 100644 --- a/src/symba/symba_setup.f90 +++ b/src/symba/symba_setup.f90 @@ -79,7 +79,7 @@ module subroutine symba_setup_initialize_system(self, param) call system%plplcollision_list%setup(0) select type(pl => system%pl) class is (symba_pl) - !call pl%sort("mass", ascending=.false.) + call pl%sort("mass", ascending=.false.) select type(param) class is (symba_parameters) pl%lmtiny(:) = pl%Gmass(:) > param%GMTINY From 2cc6398b911510682fc1ad7a9ea89a3956aa3210 Mon Sep 17 00:00:00 2001 From: David A Minton Date: Thu, 12 Aug 2021 12:12:09 -0400 Subject: [PATCH 07/36] Consolidated symba_fragmentation into symba_collision to avoid confusion --- src/modules/symba_classes.f90 | 16 +- src/symba/symba_collision.f90 | 514 +++++++++++++++++++++++++++++- src/symba/symba_fragmentation.f90 | 508 ----------------------------- src/symba/symba_step.f90 | 4 +- 4 files changed, 519 insertions(+), 523 deletions(-) delete mode 100644 src/symba/symba_fragmentation.f90 diff --git a/src/modules/symba_classes.f90 b/src/modules/symba_classes.f90 index 1e0b1b3b0..a07ce36fc 100644 --- a/src/modules/symba_classes.f90 +++ b/src/modules/symba_classes.f90 @@ -282,7 +282,7 @@ module function symba_encounter_check_tp(self, system, dt, irec) result(lany_enc logical :: lany_encounter !! Returns true if there is at least one close encounter end function symba_encounter_check_tp - module function symba_fragmentation_casedisruption(system, param, family, x, v, mass, radius, L_spin, Ip, mass_res, Qloss) result(status) + module function symba_collision_casedisruption(system, param, family, x, v, mass, radius, L_spin, Ip, mass_res, Qloss) result(status) implicit none class(symba_nbody_system), intent(inout) :: system !! SyMBA nbody system object class(symba_parameters), intent(in) :: param !! Current run configuration parameters with SyMBA additions @@ -292,9 +292,9 @@ module function symba_fragmentation_casedisruption(system, param, family, x, v, real(DP), dimension(:), intent(inout) :: mass_res !! The distribution of fragment mass obtained by the regime calculation real(DP), intent(inout) :: Qloss !! Energy lost during collisionn integer(I4B) :: status !! Status flag assigned to this outcome - end function symba_fragmentation_casedisruption + end function symba_collision_casedisruption - module function symba_fragmentation_casehitandrun(system, param, family, x, v, mass, radius, L_spin, Ip, mass_res, Qloss) result(status) + module function symba_collision_casehitandrun(system, param, family, x, v, mass, radius, L_spin, Ip, mass_res, Qloss) result(status) implicit none class(symba_nbody_system), intent(inout) :: system !! SyMBA nbody system object class(symba_parameters), intent(in) :: param !! Current run configuration parameters with SyMBA additions @@ -304,9 +304,9 @@ module function symba_fragmentation_casehitandrun(system, param, family, x, v, m real(DP), dimension(:), intent(inout) :: mass_res !! The distribution of fragment mass obtained by the regime calculation real(DP), intent(inout) :: Qloss !! Energy lost during collision integer(I4B) :: status !! Status flag assigned to this outcome - end function symba_fragmentation_casehitandrun + end function symba_collision_casehitandrun - module function symba_fragmentation_casemerge(system, param, family, x, v, mass, radius, L_spin, Ip) result(status) + module function symba_collision_casemerge(system, param, family, x, v, mass, radius, L_spin, Ip) result(status) implicit none class(symba_nbody_system), intent(inout) :: system !! SyMBA nbody system object class(symba_parameters), intent(in) :: param !! Current run configuration parameters with SyMBA additions @@ -314,9 +314,9 @@ module function symba_fragmentation_casemerge(system, param, family, x, v, mass, real(DP), dimension(:,:), intent(in) :: x, v, L_spin, Ip !! Input values that represent a 2-body equivalent of a possibly 2+ body collision real(DP), dimension(:), intent(in) :: mass, radius !! Input values that represent a 2-body equivalent of a possibly 2+ body collisio integer(I4B) :: status !! Status flag assigned to this outcome - end function symba_fragmentation_casemerge + end function symba_collision_casemerge - module function symba_fragmentation_casesupercatastrophic(system, param, family, x, v, mass, radius, L_spin, Ip, mass_res, Qloss) result(status) + module function symba_collision_casesupercatastrophic(system, param, family, x, v, mass, radius, L_spin, Ip, mass_res, Qloss) result(status) implicit none class(symba_nbody_system), intent(inout) :: system !! SyMBA nbody system object class(symba_parameters), intent(in) :: param !! Current run configuration parameters with SyMBA additions @@ -326,7 +326,7 @@ module function symba_fragmentation_casesupercatastrophic(system, param, family, real(DP), dimension(:), intent(inout) :: mass_res !! The distribution of fragment mass obtained by the regime calculation real(DP), intent(inout) :: Qloss !! Energy lost during collision integer(I4B) :: status !! Status flag assigned to this outcome - end function symba_fragmentation_casesupercatastrophic + end function symba_collision_casesupercatastrophic module subroutine symba_io_write_discard(self, param) use swiftest_classes, only : swiftest_parameters diff --git a/src/symba/symba_collision.f90 b/src/symba/symba_collision.f90 index 0cb903fcf..24c0e3a0c 100644 --- a/src/symba/symba_collision.f90 +++ b/src/symba/symba_collision.f90 @@ -1,7 +1,388 @@ submodule (symba_classes) s_symba_collision use swiftest + + integer(I4B), parameter :: NFRAG_DISRUPT = 12 + integer(I4B), parameter :: NFRAG_SUPERCAT = 20 contains + module function symba_collision_casedisruption(system, param, family, x, v, mass, radius, L_spin, Ip, mass_res, Qloss) result(status) + !! author: Jennifer L.L. Pouplin, Carlisle A. Wishard, and David A. Minton + !! + !! Create the fragments resulting from a non-catastrophic disruption collision + !! + implicit none + ! Arguments + class(symba_nbody_system), intent(inout) :: system !! SyMBA nbody system object + class(symba_parameters), intent(in) :: param !! Current run configuration parameters with SyMBA additions + integer(I4B), dimension(:), intent(in) :: family !! List of indices of all bodies inovlved in the collision + real(DP), dimension(:,:), intent(inout) :: x, v, L_spin, Ip !! Input values that represent a 2-body equivalent of a possibly 2+ body collision + real(DP), dimension(:), intent(inout) :: mass, radius !! Input values that represent a 2-body equivalent of a possibly 2+ body collision + real(DP), dimension(:), intent(inout) :: mass_res !! The distribution of fragment mass obtained by the regime calculation + real(DP), intent(inout) :: Qloss !! Energy lost during collision + ! Result + integer(I4B) :: status !! Status flag assigned to this outcome + ! Internals + integer(I4B) :: i, istart, nfrag, ibiggest, nfamily, nstart, nend + real(DP) :: mtot, avg_dens + real(DP), dimension(NDIM) :: xcom, vcom, Ip_new + real(DP), dimension(2) :: vol + real(DP), dimension(:, :), allocatable :: vb_frag, xb_frag, rot_frag, Ip_frag + real(DP), dimension(:), allocatable :: m_frag, rad_frag + integer(I4B), dimension(:), allocatable :: id_frag + logical :: lfailure + + write(*, '("Disruption between bodies ",I8,99(:,",",I8))') system%pl%id(family(:)) + + ! Collisional fragments will be uniformly distributed around the pre-impact barycenter + nfrag = NFRAG_DISRUPT + allocate(m_frag(nfrag)) + allocate(rad_frag(nfrag)) + allocate(xb_frag(NDIM, nfrag)) + allocate(vb_frag(NDIM, nfrag)) + allocate(rot_frag(NDIM, nfrag)) + allocate(Ip_frag(NDIM, nfrag)) + allocate(id_frag(nfrag)) + + mtot = sum(mass(:)) + xcom(:) = (mass(1) * x(:,1) + mass(2) * x(:,2)) / mtot + vcom(:) = (mass(1) * v(:,1) + mass(2) * v(:,2)) / mtot + + ! Get mass weighted mean of Ip and average density + Ip_new(:) = (mass(1) * Ip(:,1) + mass(2) * Ip(:,2)) / mtot + vol(:) = 4._DP / 3._DP * PI * radius(:)**3 + avg_dens = mtot / sum(vol(:)) + + ! Distribute the mass among fragments, with a branch to check for the size of the second largest fragment + m_frag(1) = mass_res(1) + if (mass_res(2) > mass_res(1) / 3._DP) then + m_frag(2) = mass_res(2) + istart = 3 + else + istart = 2 + end if + ! Distribute remaining mass among the remaining bodies + do i = istart, nfrag + m_frag(i) = (mtot - sum(m_frag(1:istart - 1))) / (nfrag - istart + 1) + end do + + ! Distribute any residual mass if there is any and set the radius + m_frag(nfrag) = m_frag(nfrag) + (mtot - sum(m_frag(:))) + rad_frag(:) = (3 * m_frag(:) / (4 * PI * avg_dens))**(1.0_DP / 3.0_DP) + id_frag(:) = [(i, i = system%maxid + 1, system%maxid + nfrag)] + + do i = 1, nfrag + Ip_frag(:, i) = Ip_new(:) + end do + + call fragmentation_initialize(system, param, family, x, v, L_spin, Ip, mass, radius, & + nfrag, Ip_frag, m_frag, rad_frag, xb_frag, vb_frag, rot_frag, Qloss, lfailure) + + if (lfailure) then + write(*,*) 'No fragment solution found, so treat as a pure hit-and-run' + status = ACTIVE + nfrag = 0 + select type(pl => system%pl) + class is (symba_pl) + pl%status(family(:)) = status + pl%ldiscard(family(:)) = .false. + pl%lcollision(family(:)) = .false. + end select + else + ! Populate the list of new bodies + write(*,'("Generating ",I2.0," fragments")') nfrag + status = DISRUPTION + call symba_collision_mergeaddsub(system, param, family, id_frag, Ip_frag, m_frag, rad_frag, xb_frag, vb_frag, rot_frag, status) + end if + + return + end function symba_collision_casedisruption + + + module function symba_collision_casehitandrun(system, param, family, x, v, mass, radius, L_spin, Ip, mass_res, Qloss) result(status) + !! author: Jennifer L.L. Pouplin, Carlisle A. Wishard, and David A. Minton + !! + !! Create the fragments resulting from a non-catastrophic hit-and-run collision + !! + implicit none + ! Arguments + class(symba_nbody_system), intent(inout) :: system !! SyMBA nbody system object + class(symba_parameters), intent(in) :: param !! Current run configuration parameters with SyMBA additions + integer(I4B), dimension(:), intent(in) :: family !! List of indices of all bodies inovlved in the collision + real(DP), dimension(:,:), intent(inout) :: x, v, L_spin, Ip !! Input values that represent a 2-body equivalent of a possibly 2+ body collision + real(DP), dimension(:), intent(inout) :: mass, radius !! Input values that represent a 2-body equivalent of a possibly 2+ body collision + real(DP), dimension(:), intent(inout) :: mass_res !! The distribution of fragment mass obtained by the regime calculation + real(DP), intent(inout) :: Qloss !! Energy lost during collision + ! Result + integer(I4B) :: status !! Status flag assigned to this outcome + ! Internals + integer(I4B) :: i, nfrag, jproj, jtarg, idstart, ibiggest, nfamily + real(DP) :: mtot, avg_dens + real(DP), dimension(NDIM) :: xcom, vcom + real(DP), dimension(2) :: vol + real(DP), dimension(:, :), allocatable :: vb_frag, xb_frag, rot_frag, Ip_frag + real(DP), dimension(:), allocatable :: m_frag, rad_frag + integer(I4B), dimension(:), allocatable :: id_frag + logical :: lpure + logical, dimension(system%pl%nbody) :: lmask + + write(*, '("Hit and run between bodies ",I8,99(:,",",I8))') system%pl%id(family(:)) + + mtot = sum(mass(:)) + xcom(:) = (mass(1) * x(:,1) + mass(2) * x(:,2)) / mtot + vcom(:) = (mass(1) * v(:,1) + mass(2) * v(:,2)) / mtot + lpure = .false. + + ! The largest body will stay untouched + if (mass(1) > mass(2)) then + jtarg = 1 + jproj = 2 + else + jtarg = 2 + jproj = 1 + end if + + if (mass_res(2) > 0.9_DP * mass(jproj)) then ! Pure hit and run, so we'll just keep the two bodies untouched + write(*,*) 'Pure hit and run. No new fragments generated.' + nfrag = 0 + lpure = .true. + else ! Imperfect hit and run, so we'll keep the largest body and destroy the other + nfrag = NFRAG_DISRUPT - 1 + lpure = .false. + allocate(m_frag(nfrag)) + allocate(id_frag(nfrag)) + allocate(rad_frag(nfrag)) + allocate(xb_frag(NDIM, nfrag)) + allocate(vb_frag(NDIM, nfrag)) + allocate(rot_frag(NDIM, nfrag)) + allocate(Ip_frag(NDIM, nfrag)) + m_frag(1) = mass(jtarg) + ibiggest = maxloc(system%pl%Gmass(family(:)), dim=1) + id_frag(1) = system%pl%id(ibiggest) + rad_frag(1) = radius(jtarg) + xb_frag(:, 1) = x(:, jtarg) + vb_frag(:, 1) = v(:, jtarg) + Ip_frag(:,1) = Ip(:, jtarg) + + ! Get mass weighted mean of Ip and average density + vol(:) = 4._DP / 3._DP * pi * radius(:)**3 + avg_dens = mass(jproj) / vol(jproj) + m_frag(2:nfrag) = (mtot - m_frag(1)) / (nfrag - 1) + rad_frag(2:nfrag) = (3 * m_frag(2:nfrag) / (4 * PI * avg_dens))**(1.0_DP / 3.0_DP) + m_frag(nfrag) = m_frag(nfrag) + (mtot - sum(m_frag(:))) + id_frag(2:nfrag) = [(i, i = system%maxid + 1, system%maxid + nfrag - 1)] + + do i = 1, nfrag + Ip_frag(:, i) = Ip(:, jproj) + end do + + ! Put the fragments on the circle surrounding the center of mass of the system + call fragmentation_initialize(system, param, family, x, v, L_spin, Ip, mass, radius, & + nfrag, Ip_frag, m_frag, rad_frag, xb_frag, vb_frag, rot_frag, Qloss, lpure) + if (lpure) then + write(*,*) 'Should have been a pure hit and run instead' + nfrag = 0 + else + write(*,'("Generating ",I2.0," fragments")') nfrag + end if + end if + if (lpure) then ! Reset these bodies back to being active so that nothing further is done to them + status = ACTIVE + select type(pl => system%pl) + class is (symba_pl) + pl%status(family(:)) = status + pl%ldiscard(family(:)) = .false. + pl%lcollision(family(:)) = .false. + end select + else + status = HIT_AND_RUN + call symba_collision_mergeaddsub(system, param, family, id_frag, Ip_frag, m_frag, rad_frag, xb_frag, vb_frag, rot_frag, status) + end if + + return + end function symba_collision_casehitandrun + + + module function symba_collision_casemerge(system, param, family, x, v, mass, radius, L_spin, Ip) result(status) + !! author: Jennifer L.L. Pouplin, Carlisle A. Wishard, and David A. Minton + !! + !! Merge planets. + !! + !! Adapted from David E. Kaufmann's Swifter routines symba_merge_pl.f90 and symba_discard_merge_pl.f90 + !! + !! Adapted from Hal Levison's Swift routines symba5_merge.f and discard_mass_merge.f + implicit none + ! Arguments + class(symba_nbody_system), intent(inout) :: system !! SyMBA nbody system object + class(symba_parameters), intent(in) :: param !! Current run configuration parameters with SyMBA additions + integer(I4B), dimension(:), intent(in) :: family !! List of indices of all bodies inovlved in the collision + real(DP), dimension(:,:), intent(in) :: x, v, L_spin, Ip !! Input values that represent a 2-body equivalent of a possibly 2+ body collision + real(DP), dimension(:), intent(in) :: mass, radius !! Input values that represent a 2-body equivalent of a possibly 2+ body collision + ! Result + integer(I4B) :: status !! Status flag assigned to this outcome + ! Internals + integer(I4B) :: i, j, ibiggest, nfamily + real(DP) :: volume_new, pe + real(DP), dimension(NDIM) :: xc, vc, xcrossv + real(DP), dimension(2) :: vol + real(DP), dimension(NDIM) :: L_orb_old, L_spin_old + real(DP), dimension(NDIM) :: L_spin_new + logical, dimension(system%pl%nbody) :: lmask + real(DP), dimension(NDIM, 1) :: vb_frag, xb_frag, rot_frag, Ip_frag + real(DP), dimension(1) :: m_frag, rad_frag + integer(I4B), dimension(1) :: id_frag + + select type(pl => system%pl) + class is (symba_pl) + write(*, '("Merging bodies ",I8,99(:,",",I8))') pl%id(family(:)) + + ibiggest = maxloc(pl%Gmass(family(:)), dim=1) + id_frag(1) = pl%id(family(ibiggest)) + + m_frag(1) = sum(mass(:)) + + ! Merged body is created at the barycenter of the original bodies + xb_frag(:,1) = (mass(1) * x(:,1) + mass(2) * x(:,2)) / m_frag(1) + vb_frag(:,1) = (mass(1) * v(:,1) + mass(2) * v(:,2)) / m_frag(1) + + ! Get mass weighted mean of Ip and + vol(:) = 4._DP / 3._DP * PI * radius(:)**3 + volume_new = sum(vol(:)) + rad_frag(1) = (3 * volume_new / (4 * PI))**(1._DP / 3._DP) + + L_orb_old(:) = 0.0_DP + + ! Compute orbital angular momentum of pre-impact system + do i = 1, 2 + xc(:) = x(:, i) - xb_frag(:,1) + vc(:) = v(:, i) - vb_frag(:,1) + xcrossv(:) = xc(:) .cross. vc(:) + L_orb_old(:) = L_orb_old(:) + mass(i) * xcrossv(:) + end do + + if (param%lrotation) then + Ip_frag(:,1) = (mass(1) * Ip(:,1) + mass(2) * Ip(:,2)) / m_frag(1) + L_spin_old(:) = L_spin(:,1) + L_spin(:,2) + + ! Conserve angular momentum by putting pre-impact orbital momentum into spin of the new body + L_spin_new(:) = L_orb_old(:) + L_spin_old(:) + + ! Assume prinicpal axis rotation on 3rd Ip axis + rot_frag(:,1) = L_spin_new(:) / (Ip_frag(3,1) * m_frag(1) * rad_frag(1)**2) + else ! If spin is not enabled, we will consider the lost pre-collision angular momentum as "escaped" and add it to our bookkeeping variable + system%Lescape(:) = system%Lescape(:) + L_orb_old(:) + end if + + ! Keep track of the component of potential energy due to the pre-impact family for book-keeping + nfamily = size(family(:)) + pe = 0.0_DP + do j = 1, nfamily + do i = j + 1, nfamily + pe = pe - pl%mass(i) * pl%mass(j) / norm2(pl%xb(:, i) - pl%xb(:, j)) + end do + end do + system%Ecollisions = system%Ecollisions + pe + system%Euntracked = system%Euntracked - pe + + status = MERGED + call symba_collision_mergeaddsub(system, param, family, id_frag, Ip_frag, m_frag, rad_frag, xb_frag, vb_frag, rot_frag, status) + + end select + + return + end function symba_collision_casemerge + + + module function symba_collision_casesupercatastrophic(system, param, family, x, v, mass, radius, L_spin, Ip, mass_res, Qloss) result(status) + !! author: Jennifer L.L. Pouplin, Carlisle A. Wishard, and David A. Minton + !! + !! Create the fragments resulting from a supercatastrophic collision + !! + implicit none + ! Arguments + class(symba_nbody_system), intent(inout) :: system !! SyMBA nbody system object + class(symba_parameters), intent(in) :: param !! Current run configuration parameters with SyMBA additions + integer(I4B), dimension(:), intent(in) :: family !! List of indices of all bodies inovlved in the collision + real(DP), dimension(:,:), intent(inout) :: x, v, L_spin, Ip !! Input values that represent a 2-body equivalent of a possibly 2+ body collision + real(DP), dimension(:), intent(inout) :: mass, radius !! Input values that represent a 2-body equivalent of a possibly 2+ body collision + real(DP), dimension(:), intent(inout) :: mass_res !! The distribution of fragment mass obtained by the regime calculation + real(DP), intent(inout) :: Qloss !! Energy lost during collision + ! Result + integer(I4B) :: status !! Status flag assigned to this outcome + ! Internals + integer(I4B) :: i, nfrag, ibiggest, nfamily, nstart, nend + real(DP) :: mtot, avg_dens, min_frag_mass + real(DP), dimension(NDIM) :: xcom, vcom + real(DP), dimension(2) :: vol + real(DP), dimension(NDIM) :: Ip_new + real(DP), dimension(:, :), allocatable :: vb_frag, xb_frag, rot_frag, Ip_frag + real(DP), dimension(:), allocatable :: m_frag, rad_frag + integer(I4B), dimension(:), allocatable :: id_frag + logical :: lfailure + logical, dimension(system%pl%nbody) :: lmask + + write(*, '("Supercatastrophic disruption between bodies ",I8,99(:,",",I8))') system%pl%id(family(:)) + + ! Collisional fragments will be uniformly distributed around the pre-impact barycenter + nfrag = NFRAG_SUPERCAT + allocate(m_frag(nfrag)) + allocate(rad_frag(nfrag)) + allocate(id_frag(nfrag)) + allocate(xb_frag(NDIM, nfrag)) + allocate(vb_frag(NDIM, nfrag)) + allocate(rot_frag(NDIM, nfrag)) + allocate(Ip_frag(NDIM, nfrag)) + + mtot = sum(mass(:)) + xcom(:) = (mass(1) * x(:,1) + mass(2) * x(:,2)) / mtot + vcom(:) = (mass(1) * v(:,1) + mass(2) * v(:,2)) / mtot + + ! Get mass weighted mean of Ip and average density + Ip_new(:) = (mass(1) * Ip(:,1) + mass(2) * Ip(:,2)) / mtot + vol(:) = 4._DP / 3._DP * pi * radius(:)**3 + avg_dens = mtot / sum(vol(:)) + + ! If we are adding the first and largest fragment (lr), check to see if its mass is SMALLER than an equal distribution of + ! mass between all fragments. If so, we will just distribute the mass equally between the fragments + min_frag_mass = mtot / nfrag + if (mass_res(1) < min_frag_mass) then + m_frag(:) = min_frag_mass + else + m_frag(1) = mass_res(1) + m_frag(2:nfrag) = (mtot - mass_res(1)) / (nfrag - 1) + end if + ! Distribute any residual mass if there is any and set the radius + m_frag(nfrag) = m_frag(nfrag) + (mtot - sum(m_frag(:))) + rad_frag(:) = (3 * m_frag(:) / (4 * PI * avg_dens))**(1.0_DP / 3.0_DP) + id_frag(:) = [(i, i = system%maxid + 1, system%maxid + nfrag)] + + do i = 1, nfrag + Ip_frag(:, i) = Ip_new(:) + end do + + call fragmentation_initialize(system, param, family, x, v, L_spin, Ip, mass, radius, & + nfrag, Ip_frag, m_frag, rad_frag, xb_frag, vb_frag, rot_frag, Qloss, lfailure) + + if (lfailure) then + write(*,*) 'No fragment solution found, so treat as a pure hit-and-run' + status = ACTIVE + nfrag = 0 + select type(pl => system%pl) + class is (symba_pl) + pl%status(family(:)) = status + pl%ldiscard(family(:)) = .false. + pl%lcollision(family(:)) = .false. + end select + else + ! Populate the list of new bodies + write(*,'("Generating ",I2.0," fragments")') nfrag + status = SUPERCATASTROPHIC + call symba_collision_mergeaddsub(system, param, family, id_frag, Ip_frag, m_frag, rad_frag, xb_frag, vb_frag, rot_frag, status) + end if + + return + end function symba_collision_casesupercatastrophic + + module function symba_collision_check_encounter(self, system, param, t, dt, irec) result(lany_collision) !! author: David A. Minton !! @@ -404,6 +785,129 @@ module subroutine symba_collision_make_family_pl(self, idx) end subroutine symba_collision_make_family_pl + subroutine symba_collision_mergeaddsub(system, param, family, id_frag, Ip_frag, m_frag, rad_frag, xb_frag, vb_frag, rot_frag, status) + !! author: David A. Minton + !! + !! Fills the pl_discards and pl_adds with removed and added bodies + !! + implicit none + ! Arguments + class(symba_nbody_system), intent(inout) :: system !! SyMBA nbody system object + class(symba_parameters), intent(in) :: param !! Current run configuration parameters with SyMBA additions + integer(I4B), dimension(:), intent(in) :: family !! List of indices of all bodies inovlved in the collision + integer(I4B), dimension(:), intent(in) :: id_frag !! List of fragment ids + real(DP), dimension(:), intent(in) :: m_frag, rad_frag !! Distribution of fragment mass and radii + real(DP), dimension(:,:), intent(in) :: Ip_frag !! Fragment rotational inertia vectors + real(DP), dimension(:,:), intent(in) :: xb_frag, vb_frag, rot_frag !! Fragment barycentric position, barycentric velocity, and rotation vectors + integer(I4B), intent(in) :: status !! Status flag to assign to adds + ! Internals + integer(I4B) :: i, ibiggest, nstart, nend, nfamily, nfrag + logical, dimension(system%pl%nbody) :: lmask + class(symba_pl), allocatable :: plnew + + select type(pl => system%pl) + class is (symba_pl) + select type(pl_discards => system%pl_discards) + class is (symba_merger) + associate(pl_adds => system%pl_adds, cb => system%cb) + + ! Add the family bodies to the subtraction list + nfamily = size(family(:)) + nfrag = size(m_frag(:)) + lmask(:) = .false. + lmask(family(:)) = .true. + pl%status(family(:)) = MERGED + nstart = pl_discards%nbody + 1 + nend = pl_discards%nbody + nfamily + call pl_discards%append(pl, lmask) + pl%ldiscard(family(:)) = .true. + pl%lcollision(family(:)) = .true. + + ! Record how many bodies were subtracted in this event + pl_discards%ncomp(nstart:nend) = nfamily + + ! Setup new bodies + allocate(plnew, mold=pl) + call plnew%setup(nfrag, param) + ibiggest = maxloc(pl%Gmass(family(:)), dim=1) + + plnew%id(:) = id_frag(:) + system%maxid = system%maxid + nfrag + plnew%lcollision(:) = .false. + plnew%ldiscard(:) = .false. + plnew%xb(:,:) = xb_frag(:, :) + plnew%vb(:,:) = vb_frag(:, :) + do i = 1, nfrag + plnew%xh(:,i) = xb_frag(:, i) - cb%xb(:) + plnew%vh(:,i) = vb_frag(:, i) - cb%vb(:) + end do + plnew%mass(:) = m_frag(:) + plnew%Gmass(:) = param%GU * m_frag(:) + plnew%radius(:) = rad_frag(:) + plnew%density(:) = m_frag(:) / rad_frag(:) + + select case(status) + case(DISRUPTION) + plnew%info(:)%origin_type = "Disruption" + plnew%status(:) = NEW_PARTICLE + plnew%info(:)%origin_time = param%t + do i = 1, nfrag + plnew%info(i)%origin_xh(:) = plnew%xh(:,i) + plnew%info(i)%origin_vh(:) = plnew%vh(:,i) + end do + case(SUPERCATASTROPHIC) + plnew%info(:)%origin_type = "Supercatastrophic" + plnew%status(:) = NEW_PARTICLE + plnew%info(:)%origin_time = param%t + do i = 1, nfrag + plnew%info(i)%origin_xh(:) = plnew%xh(:,i) + plnew%info(i)%origin_vh(:) = plnew%vh(:,i) + end do + case(HIT_AND_RUN) + plnew%info(1) = pl%info(ibiggest) + plnew%status(1) = OLD_PARTICLE + plnew%status(2:nfrag) = NEW_PARTICLE + plnew%info(2:nfrag)%origin_type = "Hit and run fragment" + plnew%info(2:nfrag)%origin_time = param%t + do i = 2, nfrag + plnew%info(i)%origin_xh(:) = plnew%xh(:,i) + plnew%info(i)%origin_vh(:) = plnew%vh(:,i) + end do + case(MERGED) + plnew%info(1) = pl%info(ibiggest) + plnew%status(1) = OLD_PARTICLE + end select + + if (param%lrotation) then + plnew%Ip(:,:) = Ip_frag(:,:) + plnew%rot(:,:) = rot_frag(:,:) + end if + + if (param%ltides) then + plnew%Q = pl%Q(ibiggest) + plnew%k2 = pl%k2(ibiggest) + plnew%tlag = pl%tlag(ibiggest) + end if + + call plnew%set_mu(cb) + pl%lmtiny(:) = pl%Gmass(:) > param%GMTINY + + ! Append the new merged body to the list and record how many we made + nstart = pl_adds%nbody + 1 + nend = pl_adds%nbody + plnew%nbody + call pl_adds%append(plnew, lsource_mask=[(.true., i=1, plnew%nbody)]) + pl_adds%ncomp(nstart:nend) = plnew%nbody + + call plnew%setup(0, param) + deallocate(plnew) + end associate + end select + end select + + return + end subroutine symba_collision_mergeaddsub + + module subroutine symba_collision_resolve_fragmentations(self, system, param) !! author: David A. Minton !! @@ -475,13 +979,13 @@ module subroutine symba_collision_resolve_fragmentations(self, system, param) select case (regime) case (COLLRESOLVE_REGIME_DISRUPTION) - status = symba_fragmentation_casedisruption(system, param, family, x, v, mass, radius, L_spin, Ip, mass_res, Qloss) + status = symba_collision_casedisruption(system, param, family, x, v, mass, radius, L_spin, Ip, mass_res, Qloss) case (COLLRESOLVE_REGIME_SUPERCATASTROPHIC) - status = symba_fragmentation_casesupercatastrophic(system, param, family, x, v, mass, radius, L_spin, Ip, mass_res, Qloss) + status = symba_collision_casesupercatastrophic(system, param, family, x, v, mass, radius, L_spin, Ip, mass_res, Qloss) case (COLLRESOLVE_REGIME_HIT_AND_RUN) - status = symba_fragmentation_casehitandrun(system, param, family, x, v, mass, radius, L_spin, Ip, mass_res, Qloss) + status = symba_collision_casehitandrun(system, param, family, x, v, mass, radius, L_spin, Ip, mass_res, Qloss) case (COLLRESOLVE_REGIME_MERGE, COLLRESOLVE_REGIME_GRAZE_AND_MERGE) - status = symba_fragmentation_casemerge(system, param, family, x, v, mass, radius, L_spin, Ip) + status = symba_collision_casemerge(system, param, family, x, v, mass, radius, L_spin, Ip) case default write(*,*) "Error in symba_collision, unrecognized collision regime" call util_exit(FAILURE) @@ -521,7 +1025,7 @@ module subroutine symba_collision_resolve_mergers(self, system, param) lgoodcollision = symba_collision_consolidate_familes(pl, param, idx_parent, family, x, v, mass, radius, L_spin, Ip) if (.not. lgoodcollision) cycle if (any(pl%status(idx_parent(:)) /= COLLISION)) cycle ! One of these two bodies has already been resolved - status = symba_fragmentation_casemerge(system, param, family, x, v, mass, radius, L_spin, Ip) + status = symba_collision_casemerge(system, param, family, x, v, mass, radius, L_spin, Ip) end do end select end associate diff --git a/src/symba/symba_fragmentation.f90 b/src/symba/symba_fragmentation.f90 deleted file mode 100644 index 13cad78a7..000000000 --- a/src/symba/symba_fragmentation.f90 +++ /dev/null @@ -1,508 +0,0 @@ -submodule (symba_classes) s_symba_fragmentation - use swiftest - - integer(I4B), parameter :: NFRAG_DISRUPT = 12 - integer(I4B), parameter :: NFRAG_SUPERCAT = 20 -contains - - module function symba_fragmentation_casedisruption(system, param, family, x, v, mass, radius, L_spin, Ip, mass_res, Qloss) result(status) - !! author: Jennifer L.L. Pouplin, Carlisle A. Wishard, and David A. Minton - !! - !! Create the fragments resulting from a non-catastrophic disruption collision - !! - implicit none - ! Arguments - class(symba_nbody_system), intent(inout) :: system !! SyMBA nbody system object - class(symba_parameters), intent(in) :: param !! Current run configuration parameters with SyMBA additions - integer(I4B), dimension(:), intent(in) :: family !! List of indices of all bodies inovlved in the collision - real(DP), dimension(:,:), intent(inout) :: x, v, L_spin, Ip !! Input values that represent a 2-body equivalent of a possibly 2+ body collision - real(DP), dimension(:), intent(inout) :: mass, radius !! Input values that represent a 2-body equivalent of a possibly 2+ body collision - real(DP), dimension(:), intent(inout) :: mass_res !! The distribution of fragment mass obtained by the regime calculation - real(DP), intent(inout) :: Qloss !! Energy lost during collision - ! Result - integer(I4B) :: status !! Status flag assigned to this outcome - ! Internals - integer(I4B) :: i, istart, nfrag, ibiggest, nfamily, nstart, nend - real(DP) :: mtot, avg_dens - real(DP), dimension(NDIM) :: xcom, vcom, Ip_new - real(DP), dimension(2) :: vol - real(DP), dimension(:, :), allocatable :: vb_frag, xb_frag, rot_frag, Ip_frag - real(DP), dimension(:), allocatable :: m_frag, rad_frag - integer(I4B), dimension(:), allocatable :: id_frag - logical :: lfailure - - write(*, '("Disruption between bodies ",I8,99(:,",",I8))') system%pl%id(family(:)) - - ! Collisional fragments will be uniformly distributed around the pre-impact barycenter - nfrag = NFRAG_DISRUPT - allocate(m_frag(nfrag)) - allocate(rad_frag(nfrag)) - allocate(xb_frag(NDIM, nfrag)) - allocate(vb_frag(NDIM, nfrag)) - allocate(rot_frag(NDIM, nfrag)) - allocate(Ip_frag(NDIM, nfrag)) - allocate(id_frag(nfrag)) - - mtot = sum(mass(:)) - xcom(:) = (mass(1) * x(:,1) + mass(2) * x(:,2)) / mtot - vcom(:) = (mass(1) * v(:,1) + mass(2) * v(:,2)) / mtot - - ! Get mass weighted mean of Ip and average density - Ip_new(:) = (mass(1) * Ip(:,1) + mass(2) * Ip(:,2)) / mtot - vol(:) = 4._DP / 3._DP * PI * radius(:)**3 - avg_dens = mtot / sum(vol(:)) - - ! Distribute the mass among fragments, with a branch to check for the size of the second largest fragment - m_frag(1) = mass_res(1) - if (mass_res(2) > mass_res(1) / 3._DP) then - m_frag(2) = mass_res(2) - istart = 3 - else - istart = 2 - end if - ! Distribute remaining mass among the remaining bodies - do i = istart, nfrag - m_frag(i) = (mtot - sum(m_frag(1:istart - 1))) / (nfrag - istart + 1) - end do - - ! Distribute any residual mass if there is any and set the radius - m_frag(nfrag) = m_frag(nfrag) + (mtot - sum(m_frag(:))) - rad_frag(:) = (3 * m_frag(:) / (4 * PI * avg_dens))**(1.0_DP / 3.0_DP) - id_frag(:) = [(i, i = system%maxid + 1, system%maxid + nfrag)] - - do i = 1, nfrag - Ip_frag(:, i) = Ip_new(:) - end do - - call fragmentation_initialize(system, param, family, x, v, L_spin, Ip, mass, radius, & - nfrag, Ip_frag, m_frag, rad_frag, xb_frag, vb_frag, rot_frag, Qloss, lfailure) - - if (lfailure) then - write(*,*) 'No fragment solution found, so treat as a pure hit-and-run' - status = ACTIVE - nfrag = 0 - select type(pl => system%pl) - class is (symba_pl) - pl%status(family(:)) = status - pl%ldiscard(family(:)) = .false. - pl%lcollision(family(:)) = .false. - end select - else - ! Populate the list of new bodies - write(*,'("Generating ",I2.0," fragments")') nfrag - status = DISRUPTION - call symba_fragmentation_mergeaddsub(system, param, family, id_frag, Ip_frag, m_frag, rad_frag, xb_frag, vb_frag, rot_frag, status) - end if - - return - end function symba_fragmentation_casedisruption - - - module function symba_fragmentation_casehitandrun(system, param, family, x, v, mass, radius, L_spin, Ip, mass_res, Qloss) result(status) - !! author: Jennifer L.L. Pouplin, Carlisle A. Wishard, and David A. Minton - !! - !! Create the fragments resulting from a non-catastrophic hit-and-run collision - !! - implicit none - ! Arguments - class(symba_nbody_system), intent(inout) :: system !! SyMBA nbody system object - class(symba_parameters), intent(in) :: param !! Current run configuration parameters with SyMBA additions - integer(I4B), dimension(:), intent(in) :: family !! List of indices of all bodies inovlved in the collision - real(DP), dimension(:,:), intent(inout) :: x, v, L_spin, Ip !! Input values that represent a 2-body equivalent of a possibly 2+ body collision - real(DP), dimension(:), intent(inout) :: mass, radius !! Input values that represent a 2-body equivalent of a possibly 2+ body collision - real(DP), dimension(:), intent(inout) :: mass_res !! The distribution of fragment mass obtained by the regime calculation - real(DP), intent(inout) :: Qloss !! Energy lost during collision - ! Result - integer(I4B) :: status !! Status flag assigned to this outcome - ! Internals - integer(I4B) :: i, nfrag, jproj, jtarg, idstart, ibiggest, nfamily - real(DP) :: mtot, avg_dens - real(DP), dimension(NDIM) :: xcom, vcom - real(DP), dimension(2) :: vol - real(DP), dimension(:, :), allocatable :: vb_frag, xb_frag, rot_frag, Ip_frag - real(DP), dimension(:), allocatable :: m_frag, rad_frag - integer(I4B), dimension(:), allocatable :: id_frag - logical :: lpure - logical, dimension(system%pl%nbody) :: lmask - - write(*, '("Hit and run between bodies ",I8,99(:,",",I8))') system%pl%id(family(:)) - - mtot = sum(mass(:)) - xcom(:) = (mass(1) * x(:,1) + mass(2) * x(:,2)) / mtot - vcom(:) = (mass(1) * v(:,1) + mass(2) * v(:,2)) / mtot - lpure = .false. - - ! The largest body will stay untouched - if (mass(1) > mass(2)) then - jtarg = 1 - jproj = 2 - else - jtarg = 2 - jproj = 1 - end if - - if (mass_res(2) > 0.9_DP * mass(jproj)) then ! Pure hit and run, so we'll just keep the two bodies untouched - write(*,*) 'Pure hit and run. No new fragments generated.' - nfrag = 0 - lpure = .true. - else ! Imperfect hit and run, so we'll keep the largest body and destroy the other - nfrag = NFRAG_DISRUPT - 1 - lpure = .false. - allocate(m_frag(nfrag)) - allocate(id_frag(nfrag)) - allocate(rad_frag(nfrag)) - allocate(xb_frag(NDIM, nfrag)) - allocate(vb_frag(NDIM, nfrag)) - allocate(rot_frag(NDIM, nfrag)) - allocate(Ip_frag(NDIM, nfrag)) - m_frag(1) = mass(jtarg) - ibiggest = maxloc(system%pl%Gmass(family(:)), dim=1) - id_frag(1) = system%pl%id(ibiggest) - rad_frag(1) = radius(jtarg) - xb_frag(:, 1) = x(:, jtarg) - vb_frag(:, 1) = v(:, jtarg) - Ip_frag(:,1) = Ip(:, jtarg) - - ! Get mass weighted mean of Ip and average density - vol(:) = 4._DP / 3._DP * pi * radius(:)**3 - avg_dens = mass(jproj) / vol(jproj) - m_frag(2:nfrag) = (mtot - m_frag(1)) / (nfrag - 1) - rad_frag(2:nfrag) = (3 * m_frag(2:nfrag) / (4 * PI * avg_dens))**(1.0_DP / 3.0_DP) - m_frag(nfrag) = m_frag(nfrag) + (mtot - sum(m_frag(:))) - id_frag(2:nfrag) = [(i, i = system%maxid + 1, system%maxid + nfrag - 1)] - - do i = 1, nfrag - Ip_frag(:, i) = Ip(:, jproj) - end do - - ! Put the fragments on the circle surrounding the center of mass of the system - call fragmentation_initialize(system, param, family, x, v, L_spin, Ip, mass, radius, & - nfrag, Ip_frag, m_frag, rad_frag, xb_frag, vb_frag, rot_frag, Qloss, lpure) - if (lpure) then - write(*,*) 'Should have been a pure hit and run instead' - nfrag = 0 - else - write(*,'("Generating ",I2.0," fragments")') nfrag - end if - end if - if (lpure) then ! Reset these bodies back to being active so that nothing further is done to them - status = ACTIVE - select type(pl => system%pl) - class is (symba_pl) - pl%status(family(:)) = status - pl%ldiscard(family(:)) = .false. - pl%lcollision(family(:)) = .false. - end select - else - status = HIT_AND_RUN - call symba_fragmentation_mergeaddsub(system, param, family, id_frag, Ip_frag, m_frag, rad_frag, xb_frag, vb_frag, rot_frag, status) - end if - - return - end function symba_fragmentation_casehitandrun - - - module function symba_fragmentation_casemerge(system, param, family, x, v, mass, radius, L_spin, Ip) result(status) - !! author: Jennifer L.L. Pouplin, Carlisle A. Wishard, and David A. Minton - !! - !! Merge planets. - !! - !! Adapted from David E. Kaufmann's Swifter routines symba_merge_pl.f90 and symba_discard_merge_pl.f90 - !! - !! Adapted from Hal Levison's Swift routines symba5_merge.f and discard_mass_merge.f - implicit none - ! Arguments - class(symba_nbody_system), intent(inout) :: system !! SyMBA nbody system object - class(symba_parameters), intent(in) :: param !! Current run configuration parameters with SyMBA additions - integer(I4B), dimension(:), intent(in) :: family !! List of indices of all bodies inovlved in the collision - real(DP), dimension(:,:), intent(in) :: x, v, L_spin, Ip !! Input values that represent a 2-body equivalent of a possibly 2+ body collision - real(DP), dimension(:), intent(in) :: mass, radius !! Input values that represent a 2-body equivalent of a possibly 2+ body collision - ! Result - integer(I4B) :: status !! Status flag assigned to this outcome - ! Internals - integer(I4B) :: i, j, ibiggest, nfamily - real(DP) :: volume_new, pe - real(DP), dimension(NDIM) :: xc, vc, xcrossv - real(DP), dimension(2) :: vol - real(DP), dimension(NDIM) :: L_orb_old, L_spin_old - real(DP), dimension(NDIM) :: L_spin_new - logical, dimension(system%pl%nbody) :: lmask - real(DP), dimension(NDIM, 1) :: vb_frag, xb_frag, rot_frag, Ip_frag - real(DP), dimension(1) :: m_frag, rad_frag - integer(I4B), dimension(1) :: id_frag - - select type(pl => system%pl) - class is (symba_pl) - write(*, '("Merging bodies ",I8,99(:,",",I8))') pl%id(family(:)) - - ibiggest = maxloc(pl%Gmass(family(:)), dim=1) - id_frag(1) = pl%id(family(ibiggest)) - - m_frag(1) = sum(mass(:)) - - ! Merged body is created at the barycenter of the original bodies - xb_frag(:,1) = (mass(1) * x(:,1) + mass(2) * x(:,2)) / m_frag(1) - vb_frag(:,1) = (mass(1) * v(:,1) + mass(2) * v(:,2)) / m_frag(1) - - ! Get mass weighted mean of Ip and - vol(:) = 4._DP / 3._DP * PI * radius(:)**3 - volume_new = sum(vol(:)) - rad_frag(1) = (3 * volume_new / (4 * PI))**(1._DP / 3._DP) - - L_orb_old(:) = 0.0_DP - - ! Compute orbital angular momentum of pre-impact system - do i = 1, 2 - xc(:) = x(:, i) - xb_frag(:,1) - vc(:) = v(:, i) - vb_frag(:,1) - xcrossv(:) = xc(:) .cross. vc(:) - L_orb_old(:) = L_orb_old(:) + mass(i) * xcrossv(:) - end do - - if (param%lrotation) then - Ip_frag(:,1) = (mass(1) * Ip(:,1) + mass(2) * Ip(:,2)) / m_frag(1) - L_spin_old(:) = L_spin(:,1) + L_spin(:,2) - - ! Conserve angular momentum by putting pre-impact orbital momentum into spin of the new body - L_spin_new(:) = L_orb_old(:) + L_spin_old(:) - - ! Assume prinicpal axis rotation on 3rd Ip axis - rot_frag(:,1) = L_spin_new(:) / (Ip_frag(3,1) * m_frag(1) * rad_frag(1)**2) - else ! If spin is not enabled, we will consider the lost pre-collision angular momentum as "escaped" and add it to our bookkeeping variable - system%Lescape(:) = system%Lescape(:) + L_orb_old(:) - end if - - ! Keep track of the component of potential energy due to the pre-impact family for book-keeping - nfamily = size(family(:)) - pe = 0.0_DP - do j = 1, nfamily - do i = j + 1, nfamily - pe = pe - pl%mass(i) * pl%mass(j) / norm2(pl%xb(:, i) - pl%xb(:, j)) - end do - end do - system%Ecollisions = system%Ecollisions + pe - system%Euntracked = system%Euntracked - pe - - status = MERGED - call symba_fragmentation_mergeaddsub(system, param, family, id_frag, Ip_frag, m_frag, rad_frag, xb_frag, vb_frag, rot_frag, status) - - end select - - return - end function symba_fragmentation_casemerge - - - module function symba_fragmentation_casesupercatastrophic(system, param, family, x, v, mass, radius, L_spin, Ip, mass_res, Qloss) result(status) - !! author: Jennifer L.L. Pouplin, Carlisle A. Wishard, and David A. Minton - !! - !! Create the fragments resulting from a supercatastrophic collision - !! - implicit none - ! Arguments - class(symba_nbody_system), intent(inout) :: system !! SyMBA nbody system object - class(symba_parameters), intent(in) :: param !! Current run configuration parameters with SyMBA additions - integer(I4B), dimension(:), intent(in) :: family !! List of indices of all bodies inovlved in the collision - real(DP), dimension(:,:), intent(inout) :: x, v, L_spin, Ip !! Input values that represent a 2-body equivalent of a possibly 2+ body collision - real(DP), dimension(:), intent(inout) :: mass, radius !! Input values that represent a 2-body equivalent of a possibly 2+ body collision - real(DP), dimension(:), intent(inout) :: mass_res !! The distribution of fragment mass obtained by the regime calculation - real(DP), intent(inout) :: Qloss !! Energy lost during collision - ! Result - integer(I4B) :: status !! Status flag assigned to this outcome - ! Internals - integer(I4B) :: i, nfrag, ibiggest, nfamily, nstart, nend - real(DP) :: mtot, avg_dens, min_frag_mass - real(DP), dimension(NDIM) :: xcom, vcom - real(DP), dimension(2) :: vol - real(DP), dimension(NDIM) :: Ip_new - real(DP), dimension(:, :), allocatable :: vb_frag, xb_frag, rot_frag, Ip_frag - real(DP), dimension(:), allocatable :: m_frag, rad_frag - integer(I4B), dimension(:), allocatable :: id_frag - logical :: lfailure - logical, dimension(system%pl%nbody) :: lmask - - write(*, '("Supercatastrophic disruption between bodies ",I8,99(:,",",I8))') system%pl%id(family(:)) - - ! Collisional fragments will be uniformly distributed around the pre-impact barycenter - nfrag = NFRAG_SUPERCAT - allocate(m_frag(nfrag)) - allocate(rad_frag(nfrag)) - allocate(id_frag(nfrag)) - allocate(xb_frag(NDIM, nfrag)) - allocate(vb_frag(NDIM, nfrag)) - allocate(rot_frag(NDIM, nfrag)) - allocate(Ip_frag(NDIM, nfrag)) - - mtot = sum(mass(:)) - xcom(:) = (mass(1) * x(:,1) + mass(2) * x(:,2)) / mtot - vcom(:) = (mass(1) * v(:,1) + mass(2) * v(:,2)) / mtot - - ! Get mass weighted mean of Ip and average density - Ip_new(:) = (mass(1) * Ip(:,1) + mass(2) * Ip(:,2)) / mtot - vol(:) = 4._DP / 3._DP * pi * radius(:)**3 - avg_dens = mtot / sum(vol(:)) - - ! If we are adding the first and largest fragment (lr), check to see if its mass is SMALLER than an equal distribution of - ! mass between all fragments. If so, we will just distribute the mass equally between the fragments - min_frag_mass = mtot / nfrag - if (mass_res(1) < min_frag_mass) then - m_frag(:) = min_frag_mass - else - m_frag(1) = mass_res(1) - m_frag(2:nfrag) = (mtot - mass_res(1)) / (nfrag - 1) - end if - ! Distribute any residual mass if there is any and set the radius - m_frag(nfrag) = m_frag(nfrag) + (mtot - sum(m_frag(:))) - rad_frag(:) = (3 * m_frag(:) / (4 * PI * avg_dens))**(1.0_DP / 3.0_DP) - id_frag(:) = [(i, i = system%maxid + 1, system%maxid + nfrag)] - - do i = 1, nfrag - Ip_frag(:, i) = Ip_new(:) - end do - - call fragmentation_initialize(system, param, family, x, v, L_spin, Ip, mass, radius, & - nfrag, Ip_frag, m_frag, rad_frag, xb_frag, vb_frag, rot_frag, Qloss, lfailure) - - if (lfailure) then - write(*,*) 'No fragment solution found, so treat as a pure hit-and-run' - status = ACTIVE - nfrag = 0 - select type(pl => system%pl) - class is (symba_pl) - pl%status(family(:)) = status - pl%ldiscard(family(:)) = .false. - pl%lcollision(family(:)) = .false. - end select - else - ! Populate the list of new bodies - write(*,'("Generating ",I2.0," fragments")') nfrag - status = SUPERCATASTROPHIC - call symba_fragmentation_mergeaddsub(system, param, family, id_frag, Ip_frag, m_frag, rad_frag, xb_frag, vb_frag, rot_frag, status) - end if - - return - end function symba_fragmentation_casesupercatastrophic - - - subroutine symba_fragmentation_mergeaddsub(system, param, family, id_frag, Ip_frag, m_frag, rad_frag, xb_frag, vb_frag, rot_frag, status) - !! author: David A. Minton - !! - !! Fills the pl_discards and pl_adds with removed and added bodies - !! - implicit none - ! Arguments - class(symba_nbody_system), intent(inout) :: system !! SyMBA nbody system object - class(symba_parameters), intent(in) :: param !! Current run configuration parameters with SyMBA additions - integer(I4B), dimension(:), intent(in) :: family !! List of indices of all bodies inovlved in the collision - integer(I4B), dimension(:), intent(in) :: id_frag !! List of fragment ids - real(DP), dimension(:), intent(in) :: m_frag, rad_frag !! Distribution of fragment mass and radii - real(DP), dimension(:,:), intent(in) :: Ip_frag !! Fragment rotational inertia vectors - real(DP), dimension(:,:), intent(in) :: xb_frag, vb_frag, rot_frag !! Fragment barycentric position, barycentric velocity, and rotation vectors - integer(I4B), intent(in) :: status !! Status flag to assign to adds - ! Internals - integer(I4B) :: i, ibiggest, nstart, nend, nfamily, nfrag - logical, dimension(system%pl%nbody) :: lmask - class(symba_pl), allocatable :: plnew - - select type(pl => system%pl) - class is (symba_pl) - select type(pl_discards => system%pl_discards) - class is (symba_merger) - associate(pl_adds => system%pl_adds, cb => system%cb) - - ! Add the family bodies to the subtraction list - nfamily = size(family(:)) - nfrag = size(m_frag(:)) - lmask(:) = .false. - lmask(family(:)) = .true. - pl%status(family(:)) = MERGED - nstart = pl_discards%nbody + 1 - nend = pl_discards%nbody + nfamily - call pl_discards%append(pl, lmask) - pl%ldiscard(family(:)) = .true. - pl%lcollision(family(:)) = .true. - - ! Record how many bodies were subtracted in this event - pl_discards%ncomp(nstart:nend) = nfamily - - ! Setup new bodies - allocate(plnew, mold=pl) - call plnew%setup(nfrag, param) - ibiggest = maxloc(pl%Gmass(family(:)), dim=1) - - plnew%id(:) = id_frag(:) - system%maxid = system%maxid + nfrag - plnew%lcollision(:) = .false. - plnew%ldiscard(:) = .false. - plnew%xb(:,:) = xb_frag(:, :) - plnew%vb(:,:) = vb_frag(:, :) - do i = 1, nfrag - plnew%xh(:,i) = xb_frag(:, i) - cb%xb(:) - plnew%vh(:,i) = vb_frag(:, i) - cb%vb(:) - end do - plnew%mass(:) = m_frag(:) - plnew%Gmass(:) = param%GU * m_frag(:) - plnew%radius(:) = rad_frag(:) - plnew%density(:) = m_frag(:) / rad_frag(:) - - select case(status) - case(DISRUPTION) - plnew%info(:)%origin_type = "Disruption" - plnew%status(:) = NEW_PARTICLE - plnew%info(:)%origin_time = param%t - do i = 1, nfrag - plnew%info(i)%origin_xh(:) = plnew%xh(:,i) - plnew%info(i)%origin_vh(:) = plnew%vh(:,i) - end do - case(SUPERCATASTROPHIC) - plnew%info(:)%origin_type = "Supercatastrophic" - plnew%status(:) = NEW_PARTICLE - plnew%info(:)%origin_time = param%t - do i = 1, nfrag - plnew%info(i)%origin_xh(:) = plnew%xh(:,i) - plnew%info(i)%origin_vh(:) = plnew%vh(:,i) - end do - case(HIT_AND_RUN) - plnew%info(1) = pl%info(ibiggest) - plnew%status(1) = OLD_PARTICLE - plnew%status(2:nfrag) = NEW_PARTICLE - plnew%info(2:nfrag)%origin_type = "Hit and run fragment" - plnew%info(2:nfrag)%origin_time = param%t - do i = 2, nfrag - plnew%info(i)%origin_xh(:) = plnew%xh(:,i) - plnew%info(i)%origin_vh(:) = plnew%vh(:,i) - end do - case(MERGED) - plnew%info(1) = pl%info(ibiggest) - plnew%status(1) = OLD_PARTICLE - end select - - if (param%lrotation) then - plnew%Ip(:,:) = Ip_frag(:,:) - plnew%rot(:,:) = rot_frag(:,:) - end if - - if (param%ltides) then - plnew%Q = pl%Q(ibiggest) - plnew%k2 = pl%k2(ibiggest) - plnew%tlag = pl%tlag(ibiggest) - end if - - call plnew%set_mu(cb) - pl%lmtiny(:) = pl%Gmass(:) > param%GMTINY - - ! Append the new merged body to the list and record how many we made - nstart = pl_adds%nbody + 1 - nend = pl_adds%nbody + plnew%nbody - call pl_adds%append(plnew, lsource_mask=[(.true., i=1, plnew%nbody)]) - pl_adds%ncomp(nstart:nend) = plnew%nbody - - call plnew%setup(0, param) - deallocate(plnew) - end associate - end select - end select - - return - end subroutine symba_fragmentation_mergeaddsub - -end submodule s_symba_fragmentation diff --git a/src/symba/symba_step.f90 b/src/symba/symba_step.f90 index 69d7e2cbd..2e43946cb 100644 --- a/src/symba/symba_step.f90 +++ b/src/symba/symba_step.f90 @@ -212,8 +212,8 @@ module recursive subroutine symba_step_recur_system(self, param, t, ireci) lplpl_collision = plplenc_list%collision_check(system, param, t+dtl, dtl, ireci) lpltp_collision = pltpenc_list%collision_check(system, param, t+dtl, dtl, ireci) - if (lplpl_collision) call pl%discard(system, param) - if (lpltp_collision) call tp%discard(system, param) + ! if (lplpl_collision) call pl%discard(system, param) + ! if (lpltp_collision) call tp%discard(system, param) end if call self%set_recur_levels(ireci) From 2114f46d6d1a4ac8153a518c3064404c6747840f Mon Sep 17 00:00:00 2001 From: David A Minton Date: Thu, 12 Aug 2021 12:26:30 -0400 Subject: [PATCH 08/36] Fixed bad io error checking in writing encounter files --- src/io/io.f90 | 12 ++++++++---- 1 file changed, 8 insertions(+), 4 deletions(-) diff --git a/src/io/io.f90 b/src/io/io.f90 index c5519975f..933bcbdfb 100644 --- a/src/io/io.f90 +++ b/src/io/io.f90 @@ -1302,9 +1302,13 @@ module subroutine io_write_encounter(self, pl, encbody, param) if (param%enc_out == "" .or. self%nenc == 0) return - open(unit = LUN, file = param%enc_out, status = 'OLD', position = 'APPEND', form = 'UNFORMATTED', err = 667, iomsg = errmsg) - if ((ierr /= 0) .and. lfirst) then - open(unit = LUN, file = param%enc_out, status = 'NEW', form = 'UNFORMATTED', err = 667, iomsg = errmsg) + open(unit = LUN, file = param%enc_out, status = 'OLD', position = 'APPEND', form = 'UNFORMATTED', iostat = ierr, iomsg = errmsg) + if (ierr /= 0) then + if (lfirst) then + open(unit = LUN, file = param%enc_out, status = 'NEW', form = 'UNFORMATTED', err = 667, iomsg = errmsg) + else + goto 667 + end if end if lfirst = .false. @@ -1335,7 +1339,7 @@ module subroutine io_write_encounter(self, pl, encbody, param) return 667 continue - write(*,*) "Error writing discard file: " // trim(adjustl(errmsg)) + write(*,*) "Error writing encounter file: " // trim(adjustl(errmsg)) call util_exit(FAILURE) end subroutine io_write_encounter From f7d325542646de35f2eae8cdfc20a46d591c13e5 Mon Sep 17 00:00:00 2001 From: David A Minton Date: Thu, 12 Aug 2021 12:42:07 -0400 Subject: [PATCH 09/36] Testing ability to resolve collisions in the middle of the recursion step, like the original Swifter does. --- src/modules/swiftest_globals.f90 | 2 +- src/symba/symba_collision.f90 | 14 +++++++++----- src/symba/symba_discard.f90 | 2 ++ src/symba/symba_step.f90 | 4 ++-- 4 files changed, 14 insertions(+), 8 deletions(-) diff --git a/src/modules/swiftest_globals.f90 b/src/modules/swiftest_globals.f90 index bf070e162..cbe626e43 100644 --- a/src/modules/swiftest_globals.f90 +++ b/src/modules/swiftest_globals.f90 @@ -41,7 +41,7 @@ module swiftest_globals integer(I4B), parameter :: SYMBA = 8 integer(I4B), parameter :: RINGMOONS = 9 - integer(I4B), parameter :: STRMAX = 128 !! Maximum size of character strings + integer(I4B), parameter :: STRMAX = 512 !! Maximum size of character strings character(*), parameter :: ASCII_TYPE = 'ASCII' !! Symbolic name for ASCII file type character(*), parameter :: REAL4_TYPE = 'REAL4' !! Symbolic name for binary file type REAL4 diff --git a/src/symba/symba_collision.f90 b/src/symba/symba_collision.f90 index 24c0e3a0c..2fb99ccee 100644 --- a/src/symba/symba_collision.f90 +++ b/src/symba/symba_collision.f90 @@ -830,11 +830,10 @@ subroutine symba_collision_mergeaddsub(system, param, family, id_frag, Ip_frag, allocate(plnew, mold=pl) call plnew%setup(nfrag, param) ibiggest = maxloc(pl%Gmass(family(:)), dim=1) - + + ! Copy over identification, information, and physical properties of the new bodies from the fragment list plnew%id(:) = id_frag(:) system%maxid = system%maxid + nfrag - plnew%lcollision(:) = .false. - plnew%ldiscard(:) = .false. plnew%xb(:,:) = xb_frag(:, :) plnew%vb(:,:) = vb_frag(:, :) do i = 1, nfrag @@ -888,9 +887,14 @@ subroutine symba_collision_mergeaddsub(system, param, family, id_frag, Ip_frag, plnew%k2 = pl%k2(ibiggest) plnew%tlag = pl%tlag(ibiggest) end if - + call plnew%set_mu(cb) - pl%lmtiny(:) = pl%Gmass(:) > param%GMTINY + !Copy over or set integration parameters for new bodies + plnew%lcollision(:) = .false. + plnew%ldiscard(:) = .false. + plnew%lmtiny(:) = plnew%Gmass(:) > param%GMTINY + plnew%levelg(:) = pl%levelg(ibiggest) + plnew%levelm(:) = pl%levelm(ibiggest) ! Append the new merged body to the list and record how many we made nstart = pl_adds%nbody + 1 diff --git a/src/symba/symba_discard.f90 b/src/symba/symba_discard.f90 index 486efcc2c..c35a1565c 100644 --- a/src/symba/symba_discard.f90 +++ b/src/symba/symba_discard.f90 @@ -307,6 +307,8 @@ module subroutine symba_discard_pl(self, system, param) else call plplcollision_list%resolve_mergers(system, param) end if + ! Destroy the collision list now that the collisions are resolved + call plplcollision_list%setup(0) end if if (any(pl%ldiscard(:))) then diff --git a/src/symba/symba_step.f90 b/src/symba/symba_step.f90 index 2e43946cb..69d7e2cbd 100644 --- a/src/symba/symba_step.f90 +++ b/src/symba/symba_step.f90 @@ -212,8 +212,8 @@ module recursive subroutine symba_step_recur_system(self, param, t, ireci) lplpl_collision = plplenc_list%collision_check(system, param, t+dtl, dtl, ireci) lpltp_collision = pltpenc_list%collision_check(system, param, t+dtl, dtl, ireci) - ! if (lplpl_collision) call pl%discard(system, param) - ! if (lpltp_collision) call tp%discard(system, param) + if (lplpl_collision) call pl%discard(system, param) + if (lpltp_collision) call tp%discard(system, param) end if call self%set_recur_levels(ireci) From f818e662a8fbc101d575bbd169f818a98d6fa9fd Mon Sep 17 00:00:00 2001 From: David A Minton Date: Thu, 12 Aug 2021 12:42:45 -0400 Subject: [PATCH 10/36] Updated example for Swifter/Swiftest comparison of SyMBA --- .../swiftest_vs_swifter.ipynb | 24 +- .../mars_disk/param.swifter.in | 2 +- .../mars_disk/param.swiftest.in | 2 +- .../mars_disk/swiftest_vs_swifter.ipynb | 557 ++++++++++++++++++ 4 files changed, 571 insertions(+), 14 deletions(-) create mode 100644 examples/symba_swifter_comparison/mars_disk/swiftest_vs_swifter.ipynb diff --git a/examples/symba_swifter_comparison/1pl_1pl_encounter/swiftest_vs_swifter.ipynb b/examples/symba_swifter_comparison/1pl_1pl_encounter/swiftest_vs_swifter.ipynb index dee66b3b6..ec0e145ef 100644 --- a/examples/symba_swifter_comparison/1pl_1pl_encounter/swiftest_vs_swifter.ipynb +++ b/examples/symba_swifter_comparison/1pl_1pl_encounter/swiftest_vs_swifter.ipynb @@ -81,8 +81,8 @@ { "data": { "text/plain": [ - "[,\n", - " ]" + "[,\n", + " ]" ] }, "execution_count": 6, @@ -108,7 +108,7 @@ }, { "cell_type": "code", - "execution_count": 14, + "execution_count": 7, "metadata": {}, "outputs": [ { @@ -509,7 +509,7 @@ " -3.40231310e-09])\n", "Coordinates:\n", " id float64 2.0\n", - " * time (y) (time (y)) float64 0.0 0.0006845 0.001369 ... 0.1492 0.1499 0.1506
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    • " ], "text/plain": [ "\n", @@ -599,7 +599,7 @@ " * time (y) (time (y)) float64 0.0 0.0006845 0.001369 ... 0.1492 0.1499 0.1506" ] }, - "execution_count": 14, + "execution_count": 7, "metadata": {}, "output_type": "execute_result" } @@ -610,7 +610,7 @@ }, { "cell_type": "code", - "execution_count": 11, + "execution_count": 8, "metadata": {}, "outputs": [ { @@ -987,7 +987,7 @@ " nan, nan, nan, nan, nan, nan, nan, nan, nan, nan, nan, nan, nan])\n", "Coordinates:\n", " id float64 100.0\n", - " * time (y) (time (y)) float64 0.0 0.0006845 0.001369 ... 0.1492 0.1499 0.1506
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    • " ], "text/plain": [ "\n", diff --git a/examples/symba_swifter_comparison/mars_disk/param.swifter.in b/examples/symba_swifter_comparison/mars_disk/param.swifter.in index f5cbe9a08..4bdc100aa 100644 --- a/examples/symba_swifter_comparison/mars_disk/param.swifter.in +++ b/examples/symba_swifter_comparison/mars_disk/param.swifter.in @@ -1,5 +1,5 @@ T0 0.0 -TSTOP 6000.0 +TSTOP 3000.0 DT 600.0 PL_IN pl.swifter.in TP_IN tp.in diff --git a/examples/symba_swifter_comparison/mars_disk/param.swiftest.in b/examples/symba_swifter_comparison/mars_disk/param.swiftest.in index 406344ff0..0d48de602 100644 --- a/examples/symba_swifter_comparison/mars_disk/param.swiftest.in +++ b/examples/symba_swifter_comparison/mars_disk/param.swiftest.in @@ -1,6 +1,6 @@ !Parameter file for the SyMBA-RINGMOONS test T0 0.0 -TSTOP 6000.0 +TSTOP 3000.0 DT 600.0 PL_IN pl.swiftest.in TP_IN tp.in diff --git a/examples/symba_swifter_comparison/mars_disk/swiftest_vs_swifter.ipynb b/examples/symba_swifter_comparison/mars_disk/swiftest_vs_swifter.ipynb new file mode 100644 index 000000000..960e37a53 --- /dev/null +++ b/examples/symba_swifter_comparison/mars_disk/swiftest_vs_swifter.ipynb @@ -0,0 +1,557 @@ +{ + "cells": [ + { + "cell_type": "code", + "execution_count": 1, + "metadata": {}, + "outputs": [], + "source": [ + "import numpy as np\n", + "import swiftest\n", + "import matplotlib.pyplot as plt" + ] + }, + { + "cell_type": "code", + "execution_count": 2, + "metadata": {}, + "outputs": [ + { + "name": "stdout", + "output_type": "stream", + "text": [ + "Reading Swifter file param.swifter.in\n", + "Reading in time 2.520e+03\n", + "Creating Dataset\n", + "Successfully converted 43 output frames.\n", + "Swifter simulation data stored as xarray DataSet .ds\n" + ] + } + ], + "source": [ + "swiftersim = swiftest.Simulation(param_file=\"param.swifter.in\", codename=\"Swifter\")\n", + "swiftersim.bin2xr()" + ] + }, + { + "cell_type": "code", + "execution_count": 3, + "metadata": {}, + "outputs": [ + { + "name": "stdout", + "output_type": "stream", + "text": [ + "Reading Swiftest file param.swiftest.in\n", + "Reading in time 2.520e+03\n", + "Creating Dataset\n", + "Successfully converted 43 output frames.\n", + "\n", + "Adding particle info to Dataset\n", + "Swiftest simulation data stored as xarray DataSet .ds\n" + ] + } + ], + "source": [ + "swiftestsim = swiftest.Simulation(param_file=\"param.swiftest.in\")\n", + "swiftestsim.bin2xr()" + ] + }, + { + "cell_type": "code", + "execution_count": 4, + "metadata": {}, + "outputs": [], + "source": [ + "swiftdiff = swiftestsim.ds - swiftersim.ds" + ] + }, + { + "cell_type": "code", + "execution_count": 5, + "metadata": {}, + "outputs": [ + { + "name": "stderr", + "output_type": "stream", + "text": [ + "No handles with labels found to put in legend.\n" + ] + }, + { + "data": { + "image/png": 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Time of encounter contains procedure :: setup => setup_encounter !! A constructor that sets the number of encounters and allocates and initializes all arrays + procedure :: append => util_append_encounter !! Appends elements from one structure to another procedure :: copy => util_copy_encounter !! Copies elements from the source encounter list into self. procedure :: spill => util_spill_encounter !! "Spills" bodies from one object to another depending on the results of a mask (uses the PACK intrinsic) procedure :: resize => util_resize_encounter !! Checks the current size of the encounter list against the required size and extends it by a factor of 2 more than requested if it is too small. @@ -883,11 +884,18 @@ end subroutine util_append_arr_logical interface module subroutine util_append_body(self, source, lsource_mask) implicit none - class(swiftest_body), intent(inout) :: self !! Swiftest body object - class(swiftest_body), intent(in) :: source !! Source object to append + class(swiftest_body), intent(inout) :: self !! Swiftest body object + class(swiftest_body), intent(in) :: source !! Source object to append logical, dimension(:), intent(in) :: lsource_mask !! Logical mask indicating which elements to append to end subroutine util_append_body + module subroutine util_append_encounter(self, source, lsource_mask) + implicit none + class(swiftest_encounter), intent(inout) :: self !! Swiftest encounter list object + class(swiftest_encounter), intent(in) :: source !! Source object to append + logical, dimension(:), intent(in) :: lsource_mask !! Logical mask indicating which elements to append to + end subroutine util_append_encounter + module subroutine util_append_pl(self, source, lsource_mask) implicit none class(swiftest_pl), intent(inout) :: self !! Swiftest massive body object @@ -1198,6 +1206,43 @@ module subroutine util_sort_index_dp(arr,ind) end subroutine util_sort_index_dp end interface util_sort + interface util_sort_rearrange + module subroutine util_sort_rearrange_arr_char_string(arr, ind, n) + implicit none + character(len=STRMAX), dimension(:), allocatable, intent(inout) :: arr !! Destination array + integer(I4B), dimension(:), intent(in) :: ind !! Index to rearrange against + integer(I4B), intent(in) :: n !! Number of elements in arr and ind to rearrange + end subroutine util_sort_rearrange_arr_char_string + + module subroutine util_sort_rearrange_arr_DP(arr, ind, n) + implicit none + real(DP), dimension(:), allocatable, intent(inout) :: arr !! Destination array + integer(I4B), dimension(:), intent(in) :: ind !! Index to rearrange against + integer(I4B), intent(in) :: n !! Number of elements in arr and ind to rearrange + end subroutine util_sort_rearrange_arr_DP + + module subroutine util_sort_rearrange_arr_DPvec(arr, ind, n) + implicit none + real(DP), dimension(:,:), allocatable, intent(inout) :: arr !! Destination array + integer(I4B), dimension(:), intent(in) :: ind !! Index to rearrange against + integer(I4B), intent(in) :: n !! Number of elements in arr and ind to rearrange + end subroutine util_sort_rearrange_arr_DPvec + + module subroutine util_sort_rearrange_arr_I4B(arr, ind, n) + implicit none + integer(I4B), dimension(:), allocatable, intent(inout) :: arr !! Destination array + integer(I4B), dimension(:), intent(in) :: ind !! Index to rearrange against + integer(I4B), intent(in) :: n !! Number of elements in arr and ind to rearrange + end subroutine util_sort_rearrange_arr_I4B + + module subroutine util_sort_rearrange_arr_logical(arr, ind, n) + implicit none + logical, dimension(:), allocatable, intent(inout) :: arr !! Destination array + integer(I4B), dimension(:), intent(in) :: ind !! Index to rearrange against + integer(I4B), intent(in) :: n !! Number of elements in arr and ind to rearrange + end subroutine util_sort_rearrange_arr_logical + end interface util_sort_rearrange + interface module subroutine util_sort_rearrange_body(self, ind) implicit none diff --git a/src/modules/symba_classes.f90 b/src/modules/symba_classes.f90 index a07ce36fc..8516e3861 100644 --- a/src/modules/symba_classes.f90 +++ b/src/modules/symba_classes.f90 @@ -137,10 +137,11 @@ module symba_classes integer(I4B), dimension(:), allocatable :: level !! encounter recursion level contains procedure :: collision_check => symba_collision_check_encounter !! Checks if a test particle is going to collide with a massive body - procedure :: encounter_check => symba_encounter_check !! Checks if massive bodies are going through close encounters with each other + procedure :: encounter_check => symba_encounter_check !! Checks if massive bodies are going through close encounters with each other procedure :: kick => symba_kick_encounter !! Kick barycentric velocities of active test particles within SyMBA recursion procedure :: setup => symba_setup_encounter !! A constructor that sets the number of encounters and allocates and initializes all arrays procedure :: spill => symba_util_spill_encounter !! "Spills" bodies from one object to another depending on the results of a mask (uses the PACK intrinsic) + procedure :: append => symba_util_append_encounter !! Appends elements from one structure to another end type symba_encounter !******************************************************************************************************************************** @@ -149,6 +150,7 @@ module symba_classes !> SyMBA class for tracking pl-tp close encounters in a step type, extends(symba_encounter) :: symba_pltpenc contains + procedure :: resolve_collision => symba_collision_resolve_pltpenc !! Process the pl-tp collision list, then modifiy the massive bodies based on the outcome of the c end type symba_pltpenc !******************************************************************************************************************************** @@ -160,6 +162,7 @@ module symba_classes procedure :: extract_collisions => symba_collision_encounter_extract_collisions !! Processes the pl-pl encounter list remove only those encounters that led to a collision procedure :: resolve_fragmentations => symba_collision_resolve_fragmentations !! Process list of collisions, determine the collisional regime, and then create fragments procedure :: resolve_mergers => symba_collision_resolve_mergers !! Process list of collisions and merge colliding bodies together + procedure :: resolve_collision => symba_collision_resolve_plplenc !! Process the pl-pl collision list, then modifiy the massive bodies based on the outcome of the c end type symba_plplenc !******************************************************************************************************************************** @@ -221,6 +224,22 @@ module subroutine symba_collision_resolve_mergers(self, system, param) class(symba_parameters), intent(in) :: param !! Current run configuration parameters with SyMBA additions end subroutine symba_collision_resolve_mergers + module subroutine symba_collision_resolve_plplenc(self, system, param, t) + implicit none + class(symba_plplenc), intent(inout) :: self !! SyMBA pl-pl encounter list + class(symba_nbody_system), intent(inout) :: system !! SyMBA nbody system object + class(swiftest_parameters), intent(inout) :: param !! Current run configuration parameters with SyMBA additions + real(DP), intent(in) :: t !! Current simulation time + end subroutine symba_collision_resolve_plplenc + + module subroutine symba_collision_resolve_pltpenc(self, system, param, t) + implicit none + class(symba_pltpenc), intent(inout) :: self !! SyMBA pl-tp encounter list + class(symba_nbody_system), intent(inout) :: system !! SyMBA nbody system object + class(swiftest_parameters), intent(inout) :: param !! Current run configuration parameters with SyMBA additions + real(DP), intent(in) :: t !! Current simulation time + end subroutine symba_collision_resolve_pltpenc + module subroutine symba_discard_pl(self, system, param) use swiftest_classes, only : swiftest_nbody_system, swiftest_parameters implicit none @@ -502,6 +521,13 @@ end subroutine symba_util_append_arr_kin end interface interface + module subroutine symba_util_append_encounter(self, source, lsource_mask) + implicit none + class(symba_encounter), intent(inout) :: self !! SyMBA encounter list object + class(swiftest_encounter), intent(in) :: source !! Source object to append + logical, dimension(:), intent(in) :: lsource_mask !! Logical mask indicating which elements to append to + end subroutine symba_util_append_encounter + module subroutine symba_util_append_merger(self, source, lsource_mask) use swiftest_classes, only : swiftest_body implicit none @@ -622,7 +648,25 @@ module subroutine symba_util_sort_tp(self, sortby, ascending) character(*), intent(in) :: sortby !! Sorting attribute logical, intent(in) :: ascending !! Logical flag indicating whether or not the sorting should be in ascending or descending order end subroutine symba_util_sort_tp + end interface + + interface util_sort_rearrange + module subroutine symba_util_sort_rearrange_arr_info(arr, ind, n) + implicit none + type(symba_particle_info), dimension(:), allocatable, intent(inout) :: arr !! Destination array + integer(I4B), dimension(:), intent(in) :: ind !! Index to rearrange against + integer(I4B), intent(in) :: n !! Number of elements in arr and ind to rearrange + end subroutine symba_util_sort_rearrange_arr_info + module subroutine symba_util_sort_rearrange_arr_kin(arr, ind, n) + implicit none + type(symba_kinship), dimension(:), allocatable, intent(inout) :: arr !! Destination array + integer(I4B), dimension(:), intent(in) :: ind !! Index to rearrange against + integer(I4B), intent(in) :: n !! Number of elements in arr and ind to rearrange + end subroutine symba_util_sort_rearrange_arr_kin + end interface util_sort_rearrange + + interface module subroutine symba_util_sort_rearrange_pl(self, ind) implicit none class(symba_pl), intent(inout) :: self !! SyMBA massive body object diff --git a/src/symba/symba_collision.f90 b/src/symba/symba_collision.f90 index 2fb99ccee..0e6c69440 100644 --- a/src/symba/symba_collision.f90 +++ b/src/symba/symba_collision.f90 @@ -333,7 +333,7 @@ module function symba_collision_casesupercatastrophic(system, param, family, x, allocate(Ip_frag(NDIM, nfrag)) mtot = sum(mass(:)) - xcom(:) = (mass(1) * x(:,1) + mass(2) * x(:,2)) / mtot + xcom(:) = (mass(1) * x(:,1) + mass(2) * x(:,2)) / mtot vcom(:) = (mass(1) * v(:,1) + mass(2) * v(:,2)) / mtot ! Get mass weighted mean of Ip and average density @@ -393,7 +393,7 @@ module function symba_collision_check_encounter(self, system, param, t, dt, irec !! Adapted from Hal Levison's Swift routine symba5_merge.f implicit none ! Arguments - class(symba_encounter), intent(inout) :: self !! SyMBA pl-tp encounter list object + class(symba_encounter), intent(inout) :: self !! SyMBA pl-tp encounter list object class(symba_nbody_system), intent(inout) :: system !! SyMBA nbody system object class(swiftest_parameters), intent(in) :: param !! Current run configuration parameters real(DP), intent(in) :: t !! current time @@ -451,7 +451,6 @@ module function symba_collision_check_encounter(self, system, param, t, dt, irec end do end if - do k = 1, nenc if (lcollision(k)) self%status(k) = COLLISION self%t(k) = t @@ -485,6 +484,14 @@ module function symba_collision_check_encounter(self, system, param, t, dt, irec lany_collision = any(lcollision(:)) + ! Extract the pl-pl encounter list and return the plplcollision_list + if (lany_collision) then + select type(plplenc_list => self) + class is (symba_plplenc) + call plplenc_list%extract_collisions(system, param) + end select + end if + return end function symba_collision_check_encounter @@ -604,7 +611,7 @@ function symba_collision_consolidate_familes(pl, param, idx_parent, family, x, v ! Find the barycenter of each body along with its children, if it has any do j = 1, 2 - x(:, j) = pl%xb(:, idx_parent(j)) + x(:, j) = pl%xh(:, idx_parent(j)) v(:, j) = pl%vb(:, idx_parent(j)) ! Assume principal axis rotation about axis corresponding to highest moment of inertia (3rd Ip) if (param%lrotation) then @@ -617,7 +624,7 @@ function symba_collision_consolidate_familes(pl, param, idx_parent, family, x, v idx_child = parent_child_index_array(j)%idx(i + 1) if (.not. pl%lcollision(idx_child)) cycle mchild = pl%mass(idx_child) - xchild(:) = pl%xb(:, idx_child) + xchild(:) = pl%xh(:, idx_child) vchild(:) = pl%vb(:, idx_child) volchild = (4.0_DP / 3.0_DP) * PI * pl%radius(idx_child)**3 volume(j) = volume(j) + volchild @@ -947,6 +954,10 @@ module subroutine symba_collision_resolve_fragmentations(self, system, param) if (.not. lgoodcollision) cycle if (any(pl%status(idx_parent(:)) /= COLLISION)) cycle ! One of these two bodies has already been resolved + ! Convert from DH to barycentric + x(:,1) = x(:,1) + cb%xb(:) + x(:,2) = x(:,2) + cb%xb(:) + ! Convert all quantities to SI units and determine which of the pair is the projectile vs. target before sending them ! to symba_regime if (mass(1) > mass(2)) then @@ -1020,7 +1031,7 @@ module subroutine symba_collision_resolve_mergers(self, system, param) logical :: lgoodcollision integer(I4B) :: i, status - associate(plpl_collisions => self, ncollisions => self%nenc, idx1 => self%index1, idx2 => self%index2) + associate(plpl_collisions => self, ncollisions => self%nenc, idx1 => self%index1, idx2 => self%index2, cb => system%cb) select type(pl => system%pl) class is (symba_pl) do i = 1, ncollisions @@ -1029,6 +1040,11 @@ module subroutine symba_collision_resolve_mergers(self, system, param) lgoodcollision = symba_collision_consolidate_familes(pl, param, idx_parent, family, x, v, mass, radius, L_spin, Ip) if (.not. lgoodcollision) cycle if (any(pl%status(idx_parent(:)) /= COLLISION)) cycle ! One of these two bodies has already been resolved + + ! Convert from DH to barycentric + x(:,1) = x(:,1) + cb%xb(:) + x(:,2) = x(:,2) + cb%xb(:) + status = symba_collision_casemerge(system, param, family, x, v, mass, radius, L_spin, Ip) end do end select @@ -1037,4 +1053,77 @@ module subroutine symba_collision_resolve_mergers(self, system, param) return end subroutine symba_collision_resolve_mergers + + module subroutine symba_collision_resolve_plplenc(self, system, param, t) + !! author: David A. Minton + !! + !! Process the pl-pl collision list, then modifiy the massive bodies based on the outcome of the collision + !! + implicit none + ! Arguments + class(symba_plplenc), intent(inout) :: self !! SyMBA pl-pl encounter list + class(symba_nbody_system), intent(inout) :: system !! SyMBA nbody system object + class(swiftest_parameters), intent(inout) :: param !! Current run configuration parameters with SyMBA additions + real(DP), intent(in) :: t !! Current simulation time + ! Internals + real(DP) :: Eorbit_before, Eorbit_after + + associate(plplenc_list => self, plplcollision_list => system%plplcollision_list) + select type(pl => system%pl) + class is (symba_pl) + select type(param) + class is (symba_parameters) + if (plplcollision_list%nenc == 0) return ! No collisions to resolve + + write(*, *) "Collision between massive bodies detected at time t = ", t + if (param%lfragmentation) then + call plplcollision_list%resolve_fragmentations(system, param) + else + call plplcollision_list%resolve_mergers(system, param) + end if + + ! Destroy the collision list now that the collisions are resolved + call plplcollision_list%setup(0) + + ! Get the energy before the collision is resolved + if (param%lenergy) then + call system%get_energy_and_momentum(param) + Eorbit_before = system%te + end if + + call pl%rearray(system, param) + + if (param%lenergy) then + call system%get_energy_and_momentum(param) + Eorbit_after = system%te + system%Ecollisions = system%Ecollisions + (Eorbit_after - Eorbit_before) + end if + + end select + end select + end associate + + return + end subroutine symba_collision_resolve_plplenc + + + module subroutine symba_collision_resolve_pltpenc(self, system, param, t) + !! author: David A. Minton + !! + !! Process the pl-tp collision list, then modifiy the massive bodies based on the outcome of the collision + !! + implicit none + ! Arguments + class(symba_pltpenc), intent(inout) :: self !! SyMBA pl-pl encounter list + class(symba_nbody_system), intent(inout) :: system !! SyMBA nbody system object + class(swiftest_parameters), intent(inout) :: param !! Current run configuration parameters with SyMBA additions + real(DP), intent(in) :: t !! Current simulation tim + + call system%tp%discard(system, param) + + return + end subroutine symba_collision_resolve_pltpenc + + + end submodule s_symba_collision \ No newline at end of file diff --git a/src/symba/symba_discard.f90 b/src/symba/symba_discard.f90 index c35a1565c..70c0898a5 100644 --- a/src/symba/symba_discard.f90 +++ b/src/symba/symba_discard.f90 @@ -276,8 +276,7 @@ end subroutine symba_discard_peri_pl module subroutine symba_discard_pl(self, system, param) !! author: David A. Minton !! - !! Call the various flavors of discards for massive bodies in SyMBA runs, including discards due to colling with the central body, - !! escaping the system, or colliding with each other. + !! Call the various flavors of discards for massive bodies in SyMBA runs, including discards due to colliding with the central body or escaping the system implicit none ! Arguments class(symba_pl), intent(inout) :: self !! SyMBA test particle object @@ -291,38 +290,25 @@ module subroutine symba_discard_pl(self, system, param) select type(param) class is (symba_parameters) associate(pl => self, plplenc_list => system%plplenc_list, plplcollision_list => system%plplcollision_list) - call pl%h2b(system%cb) + call plplenc_list%write(pl, pl, param) - ! First deal with the non pl-pl collisions call symba_discard_nonplpl(self, system, param) - ! Extract the pl-pl encounter list and return the plplcollision_list - call plplenc_list%extract_collisions(system, param) - call plplenc_list%write(pl, pl, param) + if (.not.any(pl%ldiscard(:))) return - if ((plplcollision_list%nenc > 0) .and. any(pl%lcollision(:))) then - write(*, *) "Collision between massive bodies detected at time t = ",param%t - if (param%lfragmentation) then - call plplcollision_list%resolve_fragmentations(system, param) - else - call plplcollision_list%resolve_mergers(system, param) - end if - ! Destroy the collision list now that the collisions are resolved - call plplcollision_list%setup(0) + if (param%lenergy) then + call system%get_energy_and_momentum(param) + Eorbit_before = system%te end if - if (any(pl%ldiscard(:))) then - if (param%lenergy) then - call system%get_energy_and_momentum(param) - Eorbit_before = system%te - end if - call symba_discard_nonplpl_conservation(self, system, param) - call pl%rearray(system, param) - if (param%lenergy) then - call system%get_energy_and_momentum(param) - Eorbit_after = system%te - system%Ecollisions = system%Ecollisions + (Eorbit_after - Eorbit_before) - end if + call symba_discard_nonplpl_conservation(self, system, param) + + call pl%rearray(system, param) + + if (param%lenergy) then + call system%get_energy_and_momentum(param) + Eorbit_after = system%te + system%Ecollisions = system%Ecollisions + (Eorbit_after - Eorbit_before) end if end associate diff --git a/src/symba/symba_step.f90 b/src/symba/symba_step.f90 index 69d7e2cbd..ca5aa43cf 100644 --- a/src/symba/symba_step.f90 +++ b/src/symba/symba_step.f90 @@ -108,32 +108,17 @@ module subroutine symba_step_set_recur_levels_system(self, ireci) ! Internals integer(I4B) :: k, irecp - associate(system => self, plplenc_list => self%plplenc_list, pltpenc_list => self%pltpenc_list) + associate(system => self, plplenc_list => self%plplenc_list, pltpenc_list => self%pltpenc_list, npl => self%pl%nbody, ntp => self%tp%nbody) select type(pl => self%pl) class is (symba_pl) select type(tp => self%tp) class is (symba_tp) irecp = ireci + 1 - if (plplenc_list%nenc > 0) then - do k = 1, plplenc_list%nenc - associate(i => plplenc_list%index1(k), j => plplenc_list%index2(k)) - if (pl%levelg(i) == irecp) pl%levelg(i) = ireci - if (pl%levelg(j) == irecp) pl%levelg(j) = ireci - end associate - end do - where(plplenc_list%level(1:plplenc_list%nenc) == irecp) plplenc_list%level(1:plplenc_list%nenc) = ireci - end if - - if (pltpenc_list%nenc > 0) then - do k = 1, pltpenc_list%nenc - associate(i => pltpenc_list%index1(k), j => pltpenc_list%index2(k)) - if (pl%levelg(i) == irecp) pl%levelg(i) = ireci - if (tp%levelg(j) == irecp) tp%levelg(j) = ireci - end associate - end do - where(pltpenc_list%level(1:pltpenc_list%nenc) == irecp) pltpenc_list%level(1:pltpenc_list%nenc) = ireci - end if + if (npl >0) where(pl%levelg(1:npl) == irecp) pl%levelg(1:npl) = ireci + if (ntp > 0) where(tp%levelg(1:ntp) == irecp) tp%levelg(1:ntp) = ireci + if (plplenc_list%nenc > 0) where(plplenc_list%level(1:plplenc_list%nenc) == irecp) plplenc_list%level(1:plplenc_list%nenc) = ireci + if (pltpenc_list%nenc > 0) where(pltpenc_list%level(1:pltpenc_list%nenc) == irecp) pltpenc_list%level(1:pltpenc_list%nenc) = ireci system%irec = ireci @@ -212,8 +197,8 @@ module recursive subroutine symba_step_recur_system(self, param, t, ireci) lplpl_collision = plplenc_list%collision_check(system, param, t+dtl, dtl, ireci) lpltp_collision = pltpenc_list%collision_check(system, param, t+dtl, dtl, ireci) - if (lplpl_collision) call pl%discard(system, param) - if (lpltp_collision) call tp%discard(system, param) + if (lplpl_collision) call plplenc_list%resolve_collision(system, param, t+dtl) + if (lpltp_collision) call pltpenc_list%resolve_collision(system, param, t+dtl) end if call self%set_recur_levels(ireci) diff --git a/src/symba/symba_util.f90 b/src/symba/symba_util.f90 index 05ee19f5e..8340f6e14 100644 --- a/src/symba/symba_util.f90 +++ b/src/symba/symba_util.f90 @@ -58,6 +58,29 @@ module subroutine symba_util_append_arr_kin(arr, source, nold, nsrc, lsource_mas end subroutine symba_util_append_arr_kin + module subroutine symba_util_append_encounter(self, source, lsource_mask) + !! author: David A. Minton + !! + !! Append components from one encounter list (pl-pl or pl-tp) body object to another. + !! This method will automatically resize the destination body if it is too small + implicit none + ! Arguments + class(symba_encounter), intent(inout) :: self !! SyMBA encounter list object + class(swiftest_encounter), intent(in) :: source !! Source object to append + logical, dimension(:), intent(in) :: lsource_mask !! Logical mask indicating which elements to append to + + associate(nold => self%nenc, nsrc => source%nenc) + select type(source) + class is (symba_encounter) + call util_append(self%level, source%level, nold, nsrc, lsource_mask) + end select + call util_append_encounter(self, source, lsource_mask) + end associate + + return + end subroutine symba_util_append_encounter + + module subroutine symba_util_append_pl(self, source, lsource_mask) !! author: David A. Minton !! @@ -374,6 +397,8 @@ module subroutine symba_util_rearray_pl(self, system, param) class(symba_pl), allocatable :: tmp !! The discarded body list. integer(I4B) :: i logical, dimension(:), allocatable :: lmask + class(symba_plplenc), allocatable :: plplenc_old + logical :: lencounter associate(pl => self, pl_adds => system%pl_adds) allocate(tmp, mold=pl) @@ -391,19 +416,24 @@ module subroutine symba_util_rearray_pl(self, system, param) ! Add in any new bodies if (pl_adds%nbody > 0) then + ! First store the original plplenc list so we don't remove any of the original encounters + allocate(plplenc_old, source=system%plplenc_list) + + ! Append the adds to the main pl object call pl%append(pl_adds, lsource_mask=[(.true., i=1, pl_adds%nbody)]) + allocate(lmask(pl%nbody)) lmask(:) = pl%status(1:pl%nbody) == NEW_PARTICLE call symba_io_dump_particle_info(system, param, plidx=pack([(i, i=1, pl%nbody)], lmask)) where(pl%status(:) /= INACTIVE) pl%status(:) = ACTIVE - end if - ! If there are still bodies in the system, sort by mass in descending order and re-index - if (pl%nbody > 0) then call pl%sort("mass", ascending=.false.) pl%lmtiny(:) = pl%Gmass(:) > param%GMTINY pl%nplm = count(pl%lmtiny(:)) + + ! Reindex call pl%eucl_index() + end if end associate @@ -637,6 +667,55 @@ module subroutine symba_util_sort_tp(self, sortby, ascending) end subroutine symba_util_sort_tp + module subroutine symba_util_sort_rearrange_arr_info(arr, ind, n) + !! author: David A. Minton + !! + !! Rearrange a single array of particle information type in-place from an index list. + implicit none + ! Arguments + type(symba_particle_info), dimension(:), allocatable, intent(inout) :: arr !! Destination array + integer(I4B), dimension(:), intent(in) :: ind !! Index to rearrange against + integer(I4B), intent(in) :: n !! Number of elements in arr and ind to rearrange + ! Internals + type(symba_particle_info), dimension(:), allocatable :: tmp !! Temporary copy of array used during rearrange operation + + if (.not. allocated(arr) .or. n <= 0) return + allocate(tmp, mold=arr) + tmp(1:n) = arr(ind(1:n)) + call move_alloc(tmp, arr) + + return + end subroutine symba_util_sort_rearrange_arr_info + + + module subroutine symba_util_sort_rearrange_arr_kin(arr, ind, n) + !! author: David A. Minton + !! + !! Rearrange a single array of particle kinship type in-place from an index list. + implicit none + ! Arguments + type(symba_kinship), dimension(:), allocatable, intent(inout) :: arr !! Destination array + integer(I4B), dimension(:), intent(in) :: ind !! Index to rearrange against + integer(I4B), intent(in) :: n !! Number of elements in arr and ind to rearrange + ! Internals + type(symba_kinship), dimension(:), allocatable :: tmp !! Temporary copy of array used during rearrange operation + integer(I4B) :: i,j + + if (.not. allocated(arr) .or. n <= 0) return + allocate(tmp, mold=arr) + tmp(1:n) = arr(ind(1:n)) + + do i = 1, n + do j = 1, tmp(i)%nchild + tmp(i)%child(j) = ind(tmp(i)%child(j)) + end do + end do + + call move_alloc(tmp, arr) + return + end subroutine symba_util_sort_rearrange_arr_kin + + module subroutine symba_util_sort_rearrange_pl(self, ind) !! author: David A. Minton !! @@ -647,32 +726,23 @@ module subroutine symba_util_sort_rearrange_pl(self, ind) class(symba_pl), intent(inout) :: self !! SyMBA massive body object integer(I4B), dimension(:), intent(in) :: ind !! Index array used to restructure the body (should contain all 1:n index values in the desired order) ! Internals - class(symba_pl), allocatable :: pl_sorted !! Temporary holder for sorted body integer(I4B) :: i, j associate(pl => self, npl => self%nbody) + call util_sort_rearrange(pl%lcollision, ind, npl) + call util_sort_rearrange(pl%lencounter, ind, npl) + call util_sort_rearrange(pl%lmtiny, ind, npl) + call util_sort_rearrange(pl%nplenc, ind, npl) + call util_sort_rearrange(pl%ntpenc, ind, npl) + call util_sort_rearrange(pl%levelg, ind, npl) + call util_sort_rearrange(pl%levelm, ind, npl) + call util_sort_rearrange(pl%isperi, ind, npl) + call util_sort_rearrange(pl%peri, ind, npl) + call util_sort_rearrange(pl%atp, ind, npl) + call util_sort_rearrange(pl%info, ind, npl) + call util_sort_rearrange(pl%kin, ind, npl) + call util_sort_rearrange_pl(pl,ind) - allocate(pl_sorted, source=self) - if (allocated(pl%lcollision)) pl%lcollision(1:npl) = pl_sorted%lcollision(ind(1:npl)) - if (allocated(pl%lencounter)) pl%lencounter(1:npl) = pl_sorted%lencounter(ind(1:npl)) - if (allocated(pl%lmtiny)) pl%lmtiny(1:npl) = pl_sorted%lmtiny(ind(1:npl)) - if (allocated(pl%nplenc)) pl%nplenc(1:npl) = pl_sorted%nplenc(ind(1:npl)) - if (allocated(pl%ntpenc)) pl%ntpenc(1:npl) = pl_sorted%ntpenc(ind(1:npl)) - if (allocated(pl%levelg)) pl%levelg(1:npl) = pl_sorted%levelg(ind(1:npl)) - if (allocated(pl%levelm)) pl%levelm(1:npl) = pl_sorted%levelm(ind(1:npl)) - if (allocated(pl%isperi)) pl%isperi(1:npl) = pl_sorted%isperi(ind(1:npl)) - if (allocated(pl%peri)) pl%peri(1:npl) = pl_sorted%peri(ind(1:npl)) - if (allocated(pl%atp)) pl%atp(1:npl) = pl_sorted%atp(ind(1:npl)) - if (allocated(pl%info)) pl%info(1:npl) = pl_sorted%info(ind(1:npl)) - if (allocated(pl%kin)) then - pl%kin(1:npl) = pl_sorted%kin(ind(1:npl)) - do i = 1, npl - do j = 1, pl%kin(i)%nchild - pl%kin(i)%child(j) = ind(pl%kin(i)%child(j)) - end do - end do - end if - deallocate(pl_sorted) end associate return @@ -688,17 +758,14 @@ module subroutine symba_util_sort_rearrange_tp(self, ind) ! Arguments class(symba_tp), intent(inout) :: self !! SyMBA test particle object integer(I4B), dimension(:), intent(in) :: ind !! Index array used to restructure the body (should contain all 1:n index values in the desired order) - ! Internals - class(symba_tp), allocatable :: tp_sorted !! Temporary holder for sorted body associate(tp => self, ntp => self%nbody) + call util_sort_rearrange(tp%nplenc, ind, ntp) + call util_sort_rearrange(tp%levelg, ind, ntp) + call util_sort_rearrange(tp%levelm, ind, ntp) + call util_sort_rearrange(tp%info, ind, ntp) + call util_sort_rearrange_tp(tp,ind) - allocate(tp_sorted, source=self) - if (allocated(tp%nplenc)) tp%nplenc(1:ntp) = tp_sorted%nplenc(ind(1:ntp)) - if (allocated(tp%levelg)) tp%levelg(1:ntp) = tp_sorted%levelg(ind(1:ntp)) - if (allocated(tp%levelm)) tp%levelm(1:ntp) = tp_sorted%levelm(ind(1:ntp)) - if (allocated(tp%info)) tp%info(1:ntp) = tp_sorted%info(ind(1:ntp)) - deallocate(tp_sorted) end associate return diff --git a/src/util/util_append.f90 b/src/util/util_append.f90 index cb15fa18c..6f35de54e 100644 --- a/src/util/util_append.f90 +++ b/src/util/util_append.f90 @@ -184,6 +184,34 @@ module subroutine util_append_body(self, source, lsource_mask) end subroutine util_append_body + module subroutine util_append_encounter(self, source, lsource_mask) + !! author: David A. Minton + !! + !! Append components from one Swiftest body object to another. + !! This method will automatically resize the destination body if it is too small + implicit none + ! Arguments + class(swiftest_encounter), intent(inout) :: self !! Swiftest encounter list object + class(swiftest_encounter), intent(in) :: source !! Source object to append + logical, dimension(:), intent(in) :: lsource_mask !! Logical mask indicating which elements to append to + + associate(nold => self%nenc, nsrc => source%nenc) + call util_append(self%lvdotr, source%lvdotr, nold, nsrc, lsource_mask) + call util_append(self%status, source%status, nold, nsrc, lsource_mask) + call util_append(self%index1, source%index1, nold, nsrc, lsource_mask) + call util_append(self%index2, source%index2, nold, nsrc, lsource_mask) + call util_append(self%x1, source%x1, nold, nsrc, lsource_mask) + call util_append(self%x2, source%x2, nold, nsrc, lsource_mask) + call util_append(self%v1, source%v1, nold, nsrc, lsource_mask) + call util_append(self%v2, source%v2, nold, nsrc, lsource_mask) + call util_append(self%t, source%t, nold, nsrc, lsource_mask) + self%nenc = nold + count(lsource_mask(:)) + end associate + + return + end subroutine util_append_encounter + + module subroutine util_append_pl(self, source, lsource_mask) !! author: David A. Minton !! diff --git a/src/util/util_sort.f90 b/src/util/util_sort.f90 index 752e78ab7..b2a5464aa 100644 --- a/src/util/util_sort.f90 +++ b/src/util/util_sort.f90 @@ -55,6 +55,175 @@ module subroutine util_sort_body(self, sortby, ascending) end subroutine util_sort_body + + module subroutine util_sort_dp(arr) + !! author: David A. Minton + !! + !! Sort input double precision array in place into ascending numerical order using insertion sort. + !! This algorithm works well for partially sorted arrays (which is usually the case here) + !! + implicit none + ! Arguments + real(DP), dimension(:), intent(inout) :: arr + ! Internals + real(DP) :: tmp + integer(I4B) :: n, i, j + + n = size(arr) + do i = 2, n + tmp = arr(i) + do j = i - 1, 1, -1 + if (arr(j) <= tmp) exit + arr(j + 1) = arr(j) + end do + arr(j + 1) = tmp + end do + + return + end subroutine util_sort_dp + + + module subroutine util_sort_index_dp(arr, ind) + !! author: David A. Minton + !! + !! Sort input double precision array by index in ascending numerical order using insertion sort. + !! This algorithm works well for partially sorted arrays (which is usually the case here) + !! + implicit none + ! Arguments + real(DP), dimension(:), intent(in) :: arr + integer(I4B), dimension(:), intent(out) :: ind + ! Internals + real(DP) :: tmp + integer(I4B) :: n, i, j + + n = size(arr) + ind = [(i, i=1, n)] + do i = 2, n + tmp = arr(ind(i)) + do j = i - 1, 1, -1 + if (arr(ind(j)) <= tmp) exit + ind(j + 1) = ind(j) + end do + ind(j + 1) = i + end do + + return + end subroutine util_sort_index_dp + + + module subroutine util_sort_i4b(arr) + !! author: David A. Minton + !! + !! Sort input integer array in place into ascending numerical order using insertion sort. + !! This algorithm works well for partially sorted arrays (which is usually the case here) + !! + implicit none + ! Arguments + integer(I4B), dimension(:), intent(inout) :: arr + ! Internals + integer(I4B) :: tmp + integer(I4B) :: n, i, j + + n = size(arr) + do i = 2, n + tmp = arr(i) + do j = i - 1, 1, -1 + if (arr(j) <= tmp) exit + arr(j + 1) = arr(j) + end do + arr(j + 1) = tmp + end do + + return + end subroutine util_sort_i4b + + + module subroutine util_sort_index_i4b(arr, ind) + !! author: David A. Minton + !! + !! Sort input integer array by index in ascending numerical order using insertion sort. + !! This algorithm works well for partially sorted arrays (which is usually the case here) + !! + implicit none + ! Arguments + integer(I4B), dimension(:), intent(in) :: arr + integer(I4B), dimension(:), intent(out) :: ind + ! Internals + integer(I4B) :: tmp + integer(I4B) :: n, i, j + + n = size(arr) + ind = [(i, i=1, n)] + do i = 2, n + tmp = arr(ind(i)) + do j = i - 1, 1, -1 + if (arr(ind(j)) <= tmp) exit + ind(j + 1) = ind(j) + end do + ind(j + 1) = i + end do + + return + end subroutine util_sort_index_i4b + + + module subroutine util_sort_sp(arr) + !! author: David A. Minton + !! + !! Sort input single precision array in place into ascending numerical order using insertion sort. + !! This algorithm works well for partially sorted arrays (which is usually the case here) + ! + implicit none + ! Arguments + real(SP), dimension(:), intent(inout) :: arr + ! Internals + real(SP) :: tmp + integer(I4B) :: n, i, j + + n = size(arr) + do i = 2, n + tmp = arr(i) + do j = i - 1, 1, -1 + if (arr(j) <= tmp) exit + arr(j + 1) = arr(j) + end do + arr(j + 1) = tmp + end do + + return + end subroutine util_sort_sp + + + module subroutine util_sort_index_sp(arr, ind) + !! author: David A. Minton + !! + !! Sort input single precision array by index in ascending numerical order using insertion sort. + !! This algorithm works well for partially sorted arrays (which is usually the case here) + !! + implicit none + ! Arguments + real(SP), dimension(:), intent(in) :: arr + integer(I4B), dimension(:), intent(out) :: ind + ! Internals + real(SP) :: tmp + integer(I4B) :: n, i, j + + n = size(arr) + ind = [(i, i=1, n)] + do i = 2, n + tmp = arr(ind(i)) + do j = i - 1, 1, -1 + if (arr(ind(j)) <= tmp) exit + ind(j + 1) = ind(j) + end do + ind(j + 1) = i + end do + + return + end subroutine util_sort_index_sp + + module subroutine util_sort_pl(self, sortby, ascending) !! author: David A. Minton !! @@ -156,264 +325,189 @@ module subroutine util_sort_rearrange_body(self, ind) ! Arguments class(swiftest_body), intent(inout) :: self !! Swiftest body object integer(I4B), dimension(:), intent(in) :: ind !! Index array used to restructure the body (should contain all 1:n index values in the desired order) - ! Internals - class(swiftest_body), allocatable :: body_sorted !! Temporary holder for sorted body associate(n => self%nbody) - allocate(body_sorted, source=self) - if (allocated(self%id)) self%id(1:n) = body_sorted%id(ind(1:n)) - if (allocated(self%name)) self%name(1:n) = body_sorted%name(ind(1:n)) - if (allocated(self%status)) self%status(1:n) = body_sorted%status(ind(1:n)) - if (allocated(self%ldiscard)) self%ldiscard(1:n) = body_sorted%ldiscard(ind(1:n)) - if (allocated(self%xh)) self%xh(:,1:n) = body_sorted%xh(:,ind(1:n)) - if (allocated(self%vh)) self%vh(:,1:n) = body_sorted%vh(:,ind(1:n)) - if (allocated(self%xb)) self%xb(:,1:n) = body_sorted%xb(:,ind(1:n)) - if (allocated(self%vb)) self%vb(:,1:n) = body_sorted%vb(:,ind(1:n)) - if (allocated(self%ah)) self%ah(:,1:n) = body_sorted%ah(:,ind(1:n)) - if (allocated(self%ir3h)) self%ir3h(1:n) = body_sorted%ir3h(ind(1:n)) - if (allocated(self%mu)) self%mu(1:n) = body_sorted%mu(ind(1:n)) - if (allocated(self%lmask)) self%lmask(1:n) = body_sorted%lmask(ind(1:n)) - if (allocated(self%a)) self%a(1:n) = body_sorted%a(ind(1:n)) - if (allocated(self%e)) self%e(1:n) = body_sorted%e(ind(1:n)) - if (allocated(self%inc)) self%inc(1:n) = body_sorted%inc(ind(1:n)) - if (allocated(self%capom)) self%capom(1:n) = body_sorted%capom(ind(1:n)) - if (allocated(self%omega)) self%omega(1:n) = body_sorted%omega(ind(1:n)) - if (allocated(self%capm)) self%capm(1:n) = body_sorted%capm(ind(1:n)) - if (allocated(self%aobl)) self%aobl(:,1:n) = body_sorted%aobl(:,ind(1:n)) - if (allocated(self%atide)) self%atide(:,1:n) = body_sorted%atide(:,ind(1:n)) - if (allocated(self%agr)) self%agr(:,1:n) = body_sorted%agr(:,ind(1:n)) - deallocate(body_sorted) + call util_sort_rearrange(self%id, ind, n) + call util_sort_rearrange(self%name, ind, n) + call util_sort_rearrange(self%status, ind, n) + call util_sort_rearrange(self%ldiscard, ind, n) + call util_sort_rearrange(self%xh, ind, n) + call util_sort_rearrange(self%vh, ind, n) + call util_sort_rearrange(self%xb, ind, n) + call util_sort_rearrange(self%vb, ind, n) + call util_sort_rearrange(self%ah, ind, n) + call util_sort_rearrange(self%ir3h, ind, n) + call util_sort_rearrange(self%mu, ind, n) + call util_sort_rearrange(self%lmask, ind, n) + call util_sort_rearrange(self%a, ind, n) + call util_sort_rearrange(self%e, ind, n) + call util_sort_rearrange(self%inc, ind, n) + call util_sort_rearrange(self%capom, ind, n) + call util_sort_rearrange(self%omega, ind, n) + call util_sort_rearrange(self%capm, ind, n) + call util_sort_rearrange(self%aobl, ind, n) + call util_sort_rearrange(self%atide, ind, n) + call util_sort_rearrange(self%agr, ind, n) end associate return end subroutine util_sort_rearrange_body - module subroutine util_sort_rearrange_pl(self, ind) + module subroutine util_sort_rearrange_arr_char_string(arr, ind, n) !! author: David A. Minton !! - !! Rearrange Swiftest massive body structure in-place from an index list. - !! This is a helper utility used to make polymorphic sorting work on Swiftest structures. - implicit none - class(swiftest_pl), intent(inout) :: self !! Swiftest massive body object - integer(I4B), dimension(:), intent(in) :: ind !! Index array used to restructure the body (should contain all 1:n index values in the desired order) - ! Internals - class(swiftest_pl), allocatable :: pl_sorted !! Temporary holder for sorted body - - associate(pl => self, npl => self%nbody) - call util_sort_rearrange_body(pl,ind) - allocate(pl_sorted, source=self) - if (allocated(pl%mass)) pl%mass(1:npl) = pl_sorted%mass(ind(1:npl)) - if (allocated(pl%Gmass)) pl%Gmass(1:npl) = pl_sorted%Gmass(ind(1:npl)) - if (allocated(pl%rhill)) pl%rhill(1:npl) = pl_sorted%rhill(ind(1:npl)) - if (allocated(pl%xbeg)) pl%xbeg(:,1:npl) = pl_sorted%xbeg(:,ind(1:npl)) - if (allocated(pl%xend)) pl%xend(:,1:npl) = pl_sorted%xend(:,ind(1:npl)) - if (allocated(pl%vbeg)) pl%vbeg(:,1:npl) = pl_sorted%vbeg(:,ind(1:npl)) - if (allocated(pl%radius)) pl%radius(1:npl) = pl_sorted%radius(ind(1:npl)) - if (allocated(pl%density)) pl%density(1:npl) = pl_sorted%density(ind(1:npl)) - if (allocated(pl%Ip)) pl%Ip(:,1:npl) = pl_sorted%Ip(:,ind(1:npl)) - if (allocated(pl%rot)) pl%rot(:,1:npl) = pl_sorted%rot(:,ind(1:npl)) - if (allocated(pl%k2)) pl%k2(1:npl) = pl_sorted%k2(ind(1:npl)) - if (allocated(pl%Q)) pl%Q(1:npl) = pl_sorted%Q(ind(1:npl)) - if (allocated(pl%tlag)) pl%tlag(1:npl) = pl_sorted%tlag(ind(1:npl)) - - deallocate(pl_sorted) - end associate - - return - end subroutine util_sort_rearrange_pl - - - module subroutine util_sort_rearrange_tp(self, ind) - !! author: David A. Minton - !! - !! Rearrange Swiftest massive body structure in-place from an index list. - !! This is a helper utility used to make polymorphic sorting work on Swiftest structures. + !! Rearrange a single array of character string in-place from an index list. implicit none ! Arguments - class(swiftest_tp), intent(inout) :: self !! Swiftest test particle object - integer(I4B), dimension(:), intent(in) :: ind !! Index array used to restructure the body (should contain all 1:n index values in the desired order) + character(len=STRMAX), dimension(:), allocatable, intent(inout) :: arr !! Destination array + integer(I4B), dimension(:), intent(in) :: ind !! Index to rearrange against + integer(I4B), intent(in) :: n !! Number of elements in arr and ind to rearrange ! Internals - class(swiftest_tp), allocatable :: tp_sorted !! Temporary holder for sorted body + character(len=STRMAX), dimension(:), allocatable :: tmp !! Temporary copy of arry used during rearrange operation - associate(tp => self, ntp => self%nbody) - call util_sort_rearrange_body(tp,ind) - allocate(tp_sorted, source=self) - if (allocated(tp%isperi)) tp%isperi(1:ntp) = tp_sorted%isperi(ind(1:ntp)) - if (allocated(tp%peri)) tp%peri(1:ntp) = tp_sorted%peri(ind(1:ntp)) - if (allocated(tp%atp)) tp%atp(1:ntp) = tp_sorted%atp(ind(1:ntp)) - deallocate(tp_sorted) - end associate + if (.not. allocated(arr) .or. n <= 0) return + allocate(tmp, mold=arr) + tmp(1:n) = arr(ind(1:n)) + call move_alloc(tmp, arr) return - end subroutine util_sort_rearrange_tp + end subroutine util_sort_rearrange_arr_char_string - module subroutine util_sort_dp(arr) + module subroutine util_sort_rearrange_arr_DP(arr, ind, n) !! author: David A. Minton !! - !! Sort input double precision array in place into ascending numerical order using insertion sort. - !! This algorithm works well for partially sorted arrays (which is usually the case here) - !! + !! Rearrange a single array of DP type in-place from an index list. implicit none ! Arguments - real(DP), dimension(:), intent(inout) :: arr + real(DP), dimension(:), allocatable, intent(inout) :: arr !! Destination array + integer(I4B), dimension(:), intent(in) :: ind !! Index to rearrange against + integer(I4B), intent(in) :: n !! Number of elements in arr and ind to rearrange ! Internals - real(DP) :: tmp - integer(I4B) :: n, i, j + real(DP), dimension(:), allocatable :: tmp !! Temporary copy of array used during rearrange operation - n = size(arr) - do i = 2, n - tmp = arr(i) - do j = i - 1, 1, -1 - if (arr(j) <= tmp) exit - arr(j + 1) = arr(j) - end do - arr(j + 1) = tmp - end do + if (.not. allocated(arr) .or. n <= 0) return + allocate(tmp, mold=arr) + tmp(1:n) = arr(ind(1:n)) + call move_alloc(tmp, arr) return - end subroutine util_sort_dp + end subroutine util_sort_rearrange_arr_DP - module subroutine util_sort_index_dp(arr, ind) + module subroutine util_sort_rearrange_arr_DPvec(arr, ind, n) !! author: David A. Minton !! - !! Sort input double precision array by index in ascending numerical order using insertion sort. - !! This algorithm works well for partially sorted arrays (which is usually the case here) - !! + !! Rearrange a single array of (NDIM,n) DP-type vectors in-place from an index list. implicit none ! Arguments - real(DP), dimension(:), intent(in) :: arr - integer(I4B), dimension(:), intent(out) :: ind + real(DP), dimension(:,:), allocatable, intent(inout) :: arr !! Destination array + integer(I4B), dimension(:), intent(in) :: ind !! Index to rearrange against + integer(I4B), intent(in) :: n !! Number of elements in arr and ind to rearrange ! Internals - real(DP) :: tmp - integer(I4B) :: n, i, j + real(DP), dimension(:,:), allocatable :: tmp !! Temporary copy of array used during rearrange operation - n = size(arr) - ind = [(i, i=1, n)] - do i = 2, n - tmp = arr(ind(i)) - do j = i - 1, 1, -1 - if (arr(ind(j)) <= tmp) exit - ind(j + 1) = ind(j) - end do - ind(j + 1) = i - end do + if (.not. allocated(arr) .or. n <= 0) return + allocate(tmp, mold=arr) + tmp(:,1:n) = arr(:, ind(1:n)) + call move_alloc(tmp, arr) return - end subroutine util_sort_index_dp + end subroutine util_sort_rearrange_arr_DPvec - module subroutine util_sort_i4b(arr) + module subroutine util_sort_rearrange_arr_I4B(arr, ind, n) !! author: David A. Minton !! - !! Sort input integer array in place into ascending numerical order using insertion sort. - !! This algorithm works well for partially sorted arrays (which is usually the case here) - !! + !! Rearrange a single array of integers in-place from an index list. implicit none ! Arguments - integer(I4B), dimension(:), intent(inout) :: arr + integer(I4B), dimension(:), allocatable, intent(inout) :: arr !! Destination array + integer(I4B), dimension(:), intent(in) :: ind !! Index to rearrange against + integer(I4B), intent(in) :: n !! Number of elements in arr and ind to rearrange ! Internals - integer(I4B) :: tmp - integer(I4B) :: n, i, j + integer(I4B), dimension(:), allocatable :: tmp !! Temporary copy of array used during rearrange operation - n = size(arr) - do i = 2, n - tmp = arr(i) - do j = i - 1, 1, -1 - if (arr(j) <= tmp) exit - arr(j + 1) = arr(j) - end do - arr(j + 1) = tmp - end do + if (.not. allocated(arr) .or. n <= 0) return + allocate(tmp, mold=arr) + tmp(1:n) = arr(ind(1:n)) + call move_alloc(tmp, arr) return - end subroutine util_sort_i4b + end subroutine util_sort_rearrange_arr_I4B - module subroutine util_sort_index_i4b(arr, ind) + module subroutine util_sort_rearrange_arr_logical(arr, ind, n) !! author: David A. Minton !! - !! Sort input integer array by index in ascending numerical order using insertion sort. - !! This algorithm works well for partially sorted arrays (which is usually the case here) - !! + !! Rearrange a single array of logicals in-place from an index list. implicit none ! Arguments - integer(I4B), dimension(:), intent(in) :: arr - integer(I4B), dimension(:), intent(out) :: ind + logical, dimension(:), allocatable, intent(inout) :: arr !! Destination array + integer(I4B), dimension(:), intent(in) :: ind !! Index to rearrange against + integer(I4B), intent(in) :: n !! Number of elements in arr and ind to rearrange ! Internals - integer(I4B) :: tmp - integer(I4B) :: n, i, j + logical, dimension(:), allocatable :: tmp !! Temporary copy of array used during rearrange operation - n = size(arr) - ind = [(i, i=1, n)] - do i = 2, n - tmp = arr(ind(i)) - do j = i - 1, 1, -1 - if (arr(ind(j)) <= tmp) exit - ind(j + 1) = ind(j) - end do - ind(j + 1) = i - end do + if (.not. allocated(arr) .or. n <= 0) return + allocate(tmp, mold=arr) + tmp(1:n) = arr(ind(1:n)) + call move_alloc(tmp, arr) return - end subroutine util_sort_index_i4b + end subroutine util_sort_rearrange_arr_logical - module subroutine util_sort_sp(arr) + module subroutine util_sort_rearrange_pl(self, ind) !! author: David A. Minton !! - !! Sort input single precision array in place into ascending numerical order using insertion sort. - !! This algorithm works well for partially sorted arrays (which is usually the case here) - ! + !! Rearrange Swiftest massive body structure in-place from an index list. + !! This is a helper utility used to make polymorphic sorting work on Swiftest structures. implicit none - ! Arguments - real(SP), dimension(:), intent(inout) :: arr - ! Internals - real(SP) :: tmp - integer(I4B) :: n, i, j + class(swiftest_pl), intent(inout) :: self !! Swiftest massive body object + integer(I4B), dimension(:), intent(in) :: ind !! Index array used to restructure the body (should contain all 1:n index values in the desired order) - n = size(arr) - do i = 2, n - tmp = arr(i) - do j = i - 1, 1, -1 - if (arr(j) <= tmp) exit - arr(j + 1) = arr(j) - end do - arr(j + 1) = tmp - end do + associate(pl => self, npl => self%nbody) + call util_sort_rearrange(pl%mass, ind, npl) + call util_sort_rearrange(pl%Gmass, ind, npl) + call util_sort_rearrange(pl%rhill, ind, npl) + call util_sort_rearrange(pl%xbeg, ind, npl) + call util_sort_rearrange(pl%vbeg, ind, npl) + call util_sort_rearrange(pl%radius, ind, npl) + call util_sort_rearrange(pl%density, ind, npl) + call util_sort_rearrange(pl%Ip, ind, npl) + call util_sort_rearrange(pl%rot, ind, npl) + call util_sort_rearrange(pl%k2, ind, npl) + call util_sort_rearrange(pl%Q, ind, npl) + call util_sort_rearrange(pl%tlag, ind, npl) + + call util_sort_rearrange_body(pl, ind) + end associate return - end subroutine util_sort_sp + end subroutine util_sort_rearrange_pl - module subroutine util_sort_index_sp(arr, ind) + module subroutine util_sort_rearrange_tp(self, ind) !! author: David A. Minton !! - !! Sort input single precision array by index in ascending numerical order using insertion sort. - !! This algorithm works well for partially sorted arrays (which is usually the case here) - !! + !! Rearrange Swiftest massive body structure in-place from an index list. + !! This is a helper utility used to make polymorphic sorting work on Swiftest structures. implicit none ! Arguments - real(SP), dimension(:), intent(in) :: arr - integer(I4B), dimension(:), intent(out) :: ind - ! Internals - real(SP) :: tmp - integer(I4B) :: n, i, j + class(swiftest_tp), intent(inout) :: self !! Swiftest test particle object + integer(I4B), dimension(:), intent(in) :: ind !! Index array used to restructure the body (should contain all 1:n index values in the desired order) - n = size(arr) - ind = [(i, i=1, n)] - do i = 2, n - tmp = arr(ind(i)) - do j = i - 1, 1, -1 - if (arr(ind(j)) <= tmp) exit - ind(j + 1) = ind(j) - end do - ind(j + 1) = i - end do + associate(tp => self, ntp => self%nbody) + call util_sort_rearrange(tp%isperi, ind, ntp) + call util_sort_rearrange(tp%peri, ind, ntp) + call util_sort_rearrange(tp%atp, ind, ntp) + + call util_sort_rearrange_body(tp, ind) + end associate return - end subroutine util_sort_index_sp + end subroutine util_sort_rearrange_tp end submodule s_util_sort diff --git a/src/whm/whm_util.f90 b/src/whm/whm_util.f90 index cc84ba3d5..537866d0e 100644 --- a/src/whm/whm_util.f90 +++ b/src/whm/whm_util.f90 @@ -165,21 +165,17 @@ module subroutine whm_util_sort_rearrange_pl(self, ind) ! Arguments class(whm_pl), intent(inout) :: self !! WHM massive body object integer(I4B), dimension(:), intent(in) :: ind !! Index array used to restructure the body (should contain all 1:n index values in the desired order) - ! Internals - class(whm_pl), allocatable :: pl_sorted !! Temporary holder for sorted body - integer(I4B) :: i if (self%nbody == 0) return associate(pl => self, npl => self%nbody) + call util_sort_rearrange(pl%eta, ind, npl) + call util_sort_rearrange(pl%xj, ind, npl) + call util_sort_rearrange(pl%vj, ind, npl) + call util_sort_rearrange(pl%muj, ind, npl) + call util_sort_rearrange(pl%ir3j, ind, npl) + call util_sort_rearrange_pl(pl,ind) - allocate(pl_sorted, source=self) - if (allocated(pl%eta)) pl%eta(1:npl) = pl_sorted%eta(ind(1:npl)) - if (allocated(pl%xj)) pl%xj(:,1:npl) = pl_sorted%xj(:,ind(1:npl)) - if (allocated(pl%vj)) pl%vj(:,1:npl) = pl_sorted%vj(:,ind(1:npl)) - if (allocated(pl%muj)) pl%muj(1:npl) = pl_sorted%muj(ind(1:npl)) - if (allocated(pl%ir3j)) pl%ir3j(1:npl) = pl_sorted%ir3j(ind(1:npl)) - deallocate(pl_sorted) end associate return From 1583144a5bf42e2a4f1519958948c68e910d7a5e Mon Sep 17 00:00:00 2001 From: David A Minton Date: Thu, 12 Aug 2021 17:24:17 -0400 Subject: [PATCH 12/36] Fixed rearrange methods in RMVS --- src/rmvs/rmvs_util.f90 | 23 +++++++---------------- 1 file changed, 7 insertions(+), 16 deletions(-) diff --git a/src/rmvs/rmvs_util.f90 b/src/rmvs/rmvs_util.f90 index ee9ce6932..140c43426 100644 --- a/src/rmvs/rmvs_util.f90 +++ b/src/rmvs/rmvs_util.f90 @@ -268,19 +268,14 @@ module subroutine rmvs_util_sort_rearrange_pl(self, ind) ! Arguments class(rmvs_pl), intent(inout) :: self !! RMVS massive body object integer(I4B), dimension(:), intent(in) :: ind !! Index array used to restructure the body (should contain all 1:n index values in the desired order) - ! Internals - class(rmvs_pl), allocatable :: pl_sorted !! Temporary holder for sorted body - integer(I4B) :: i if (self%nbody == 0) return associate(pl => self, npl => self%nbody) + call util_sort_rearrange(pl%nenc, ind, npl) + call util_sort_rearrange(pl%tpenc1P, ind, npl) + call util_sort_rearrange(pl%plind, ind, npl) call util_sort_rearrange_pl(pl,ind) - allocate(pl_sorted, source=self) - if (allocated(pl%nenc)) pl%nenc(1:npl) = pl_sorted%nenc(ind(1:npl)) - if (allocated(pl%tpenc1P)) pl%tpenc1P(1:npl) = pl_sorted%tpenc1P(ind(1:npl)) - if (allocated(pl%plind)) pl%plind(1:npl) = pl_sorted%plind(ind(1:npl)) - deallocate(pl_sorted) end associate return @@ -296,19 +291,15 @@ module subroutine rmvs_util_sort_rearrange_tp(self, ind) ! Arguments class(rmvs_tp), intent(inout) :: self !! RMVS test particle object integer(I4B), dimension(:), intent(in) :: ind !! Index array used to restructure the body (should contain all 1:n index values in the desired order) - ! Internals - class(rmvs_tp), allocatable :: tp_sorted !! Temporary holder for sorted body if (self%nbody == 0) return associate(tp => self, ntp => self%nbody) + call util_sort_rearrange(tp%lperi, ind, ntp) + call util_sort_rearrange(tp%plperP, ind, ntp) + call util_sort_rearrange(tp%plencP, ind, ntp) + call util_sort_rearrange(tp%xheliocentric, ind, ntp) call util_sort_rearrange_tp(tp,ind) - allocate(tp_sorted, source=self) - if (allocated(tp%lperi)) tp%lperi(1:ntp) = tp_sorted%lperi(ind(1:ntp)) - if (allocated(tp%plperP)) tp%plperP(1:ntp) = tp_sorted%plperP(ind(1:ntp)) - if (allocated(tp%plencP)) tp%plencP(1:ntp) = tp_sorted%plencP(ind(1:ntp)) - if (allocated(tp%xheliocentric)) tp%xheliocentric(:,1:ntp) = tp_sorted%xheliocentric(:,ind(1:ntp)) - deallocate(tp_sorted) end associate return From 050386cd7d9577695dec86d89023ec96aef44f11 Mon Sep 17 00:00:00 2001 From: David A Minton Date: Thu, 12 Aug 2021 22:11:44 -0400 Subject: [PATCH 13/36] By carefully reconstructing the plplenc_list object in rearray, and keeping track of recursion levels, I've enabled the ability to resolve fragments at the moment they are identified, and not wait until the recursion steps are done. --- examples/symba_mars_disk/mars.in | 24 +- examples/symba_mars_disk/param.in | 4 +- .../1pl_1pl_encounter/param.swifter.in | 1 + .../swiftest_vs_swifter.ipynb | 254 +++++++++--------- src/modules/swiftest_classes.f90 | 2 + src/modules/symba_classes.f90 | 2 +- src/setup/setup.f90 | 6 + src/symba/symba_encounter_check.f90 | 4 + src/symba/symba_util.f90 | 39 ++- src/util/util_append.f90 | 2 + src/util/util_copy.f90 | 2 + src/util/util_spill.f90 | 2 + 12 files changed, 197 insertions(+), 145 deletions(-) diff --git a/examples/symba_mars_disk/mars.in b/examples/symba_mars_disk/mars.in index 8760a493d..447d1e308 100644 --- a/examples/symba_mars_disk/mars.in +++ b/examples/symba_mars_disk/mars.in @@ -1,4 +1,16 @@ 1500 ! Mars System in SI units +727 1.71022032e+06 2.13948145e+04 ! particle number mass Rhill +1.24108926e+04 !particle radius in m +-8.12608230e+06 -4.37306608e+06 -9.62736144e+03 ! x y z +9.87984575e+02 -1.88769371e+03 1.06882012e+01 ! vx vy vz +0.4 0.4 0.4 ! Ip +0.0 0.0 0.0 ! rot +231 6.25152932e+05 1.58916481e+04 ! particle number mass Rhill +8.87389776e+03 !particle radius in m +-8.21586374e+06 -4.28792953e+06 2.41010139e+04 ! x y z +1.01581225e+03 -1.90933511e+03 -2.60449634e+00 ! vx vy vz +0.4 0.4 0.4 ! Ip +0.0 0.0 0.0 ! rot 2 9.90685589e+04 8.35558297e+03 ! particle number mass Rhill 7.07643092e+03 !particle radius in m -2.35807426e+06 8.60445552e+06 1.25224401e+04 ! x y z @@ -1373,12 +1385,6 @@ -1.24261883e+03 1.71209694e+03 -6.95777672e+00 ! vx vy vz 0.4 0.4 0.4 ! Ip 0.0 0.0 0.0 ! rot -231 6.25152932e+05 1.58916481e+04 ! particle number mass Rhill -8.87389776e+03 !particle radius in m --8.21586374e+06 -4.28792953e+06 2.41010139e+04 ! x y z -1.01581225e+03 -1.90933511e+03 -2.60449634e+00 ! vx vy vz -0.4 0.4 0.4 ! Ip -0.0 0.0 0.0 ! rot 232 1.02687634e+05 1.54462392e+04 ! particle number mass Rhill 4.85987440e+03 !particle radius in m 1.62736579e+07 2.82256969e+06 3.66384128e+04 ! x y z @@ -4349,12 +4355,6 @@ -1.87648989e+03 1.17295601e+03 -5.20044045e-01 ! vx vy vz 0.4 0.4 0.4 ! Ip 0.0 0.0 0.0 ! rot -727 1.71022032e+06 2.13948145e+04 ! particle number mass Rhill -1.24108926e+04 !particle radius in m --8.12608230e+06 -4.37306608e+06 -9.62736144e+03 ! x y z -9.87984575e+02 -1.88769371e+03 1.06882012e+01 ! vx vy vz -0.4 0.4 0.4 ! Ip -0.0 0.0 0.0 ! rot 728 7.56089690e+05 4.18623276e+04 ! particle number mass Rhill 9.45460600e+03 !particle radius in m -2.34951111e+05 2.32053308e+07 -5.22036528e+04 ! x y z diff --git a/examples/symba_mars_disk/param.in b/examples/symba_mars_disk/param.in index e2be7eece..ef35236ba 100644 --- a/examples/symba_mars_disk/param.in +++ b/examples/symba_mars_disk/param.in @@ -22,9 +22,9 @@ CHK_QMIN_RANGE 3389500.0 338950000000.0 EXTRA_FORCE no BIG_DISCARD no RHILL_PRESENT yes -GMTINY 1000.0 +GMTINY 1000.0 ENERGY yes -FRAGMENTATION yes +FRAGMENTATION no ROTATION yes MU2KG 1.0 DU2M 1.0 diff --git a/examples/symba_swifter_comparison/1pl_1pl_encounter/param.swifter.in b/examples/symba_swifter_comparison/1pl_1pl_encounter/param.swifter.in index 853815639..a67348c0e 100644 --- a/examples/symba_swifter_comparison/1pl_1pl_encounter/param.swifter.in +++ b/examples/symba_swifter_comparison/1pl_1pl_encounter/param.swifter.in @@ -24,3 +24,4 @@ ENC_OUT enc.swifter.dat EXTRA_FORCE no BIG_DISCARD no RHILL_PRESENT yes +ENERGY yes diff --git a/examples/symba_swifter_comparison/1pl_1pl_encounter/swiftest_vs_swifter.ipynb b/examples/symba_swifter_comparison/1pl_1pl_encounter/swiftest_vs_swifter.ipynb index ec0e145ef..79543cb09 100644 --- a/examples/symba_swifter_comparison/1pl_1pl_encounter/swiftest_vs_swifter.ipynb +++ b/examples/symba_swifter_comparison/1pl_1pl_encounter/swiftest_vs_swifter.ipynb @@ -81,8 +81,8 @@ { "data": { "text/plain": [ - "[,\n", - " ]" + "[,\n", + " ]" ] }, "execution_count": 6, @@ -91,7 +91,7 @@ }, { "data": { - "image/png": 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\n", "text/plain": [ "
    " ] @@ -466,134 +466,134 @@ " fill: currentColor;\n", "}\n", "
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-       "        0.00000000e+00,  0.00000000e+00,  0.00000000e+00,  0.00000000e+00,\n",
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+       "       -8.8817842e-16])\n",
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    • " ], "text/plain": [ "\n", @@ -1441,7 +1441,7 @@ " nan])\n", "Coordinates:\n", " id int64 100\n", - " * time (time) float64 0.0 0.0006845 0.001369 ... 0.1492 0.1499 0.1506
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    • " ], "text/plain": [ "\n", diff --git a/src/modules/swiftest_classes.f90 b/src/modules/swiftest_classes.f90 index bebf2acfa..ee2521916 100644 --- a/src/modules/swiftest_classes.f90 +++ b/src/modules/swiftest_classes.f90 @@ -317,6 +317,8 @@ module swiftest_classes integer(I4B), dimension(:), allocatable :: status !! status of the interaction integer(I4B), dimension(:), allocatable :: index1 !! position of the first body in the encounter integer(I4B), dimension(:), allocatable :: index2 !! position of the second body in the encounter + integer(I4B), dimension(:), allocatable :: id1 !! id of the first body in the encounter + integer(I4B), dimension(:), allocatable :: id2 !! id of the second body in the encounter real(DP), dimension(:,:), allocatable :: x1 !! the position of body 1 in the encounter real(DP), dimension(:,:), allocatable :: x2 !! the position of body 2 in the encounter real(DP), dimension(:,:), allocatable :: v1 !! the velocity of body 1 in the encounter diff --git a/src/modules/symba_classes.f90 b/src/modules/symba_classes.f90 index 8516e3861..fb42b7434 100644 --- a/src/modules/symba_classes.f90 +++ b/src/modules/symba_classes.f90 @@ -711,7 +711,7 @@ end subroutine symba_util_spill_pl module subroutine symba_util_spill_encounter(self, discards, lspill_list, ldestructive) use swiftest_classes, only : swiftest_encounter implicit none - class(symba_encounter), intent(inout) :: self !! SyMBA pl-tp encounter list + class(symba_encounter), intent(inout) :: self !! SyMBA pl-tp encounter list class(swiftest_encounter), intent(inout) :: discards !! Discarded object logical, dimension(:), intent(in) :: lspill_list !! Logical array of bodies to spill into the discards logical, intent(in) :: ldestructive !! Logical flag indicating whether or not this operation should alter body by removing the discard list diff --git a/src/setup/setup.f90 b/src/setup/setup.f90 index 726da07fc..ea15bf1fe 100644 --- a/src/setup/setup.f90 +++ b/src/setup/setup.f90 @@ -88,6 +88,8 @@ module subroutine setup_encounter(self, n) if (allocated(self%status)) deallocate(self%status) if (allocated(self%index1)) deallocate(self%index1) if (allocated(self%index2)) deallocate(self%index2) + if (allocated(self%id1)) deallocate(self%id1) + if (allocated(self%id2)) deallocate(self%id2) if (allocated(self%x1)) deallocate(self%x1) if (allocated(self%x2)) deallocate(self%x2) if (allocated(self%v1)) deallocate(self%v1) @@ -98,6 +100,8 @@ module subroutine setup_encounter(self, n) allocate(self%status(n)) allocate(self%index1(n)) allocate(self%index2(n)) + allocate(self%id1(n)) + allocate(self%id2(n)) allocate(self%x1(NDIM,n)) allocate(self%x2(NDIM,n)) allocate(self%v1(NDIM,n)) @@ -108,6 +112,8 @@ module subroutine setup_encounter(self, n) self%status(:) = INACTIVE self%index1(:) = 0 self%index2(:) = 0 + self%id1(:) = 0 + self%id2(:) = 0 self%x1(:,:) = 0.0_DP self%x2(:,:) = 0.0_DP self%v1(:,:) = 0.0_DP diff --git a/src/symba/symba_encounter_check.f90 b/src/symba/symba_encounter_check.f90 index 326f5d257..eb230b7e0 100644 --- a/src/symba/symba_encounter_check.f90 +++ b/src/symba/symba_encounter_check.f90 @@ -43,6 +43,8 @@ module function symba_encounter_check_pl(self, system, dt, irec) result(lany_enc plplenc_list%lvdotr(1:nenc) = pack(loc_lvdotr(:), lencounter(:)) plplenc_list%index1(1:nenc) = pack(pl%k_plpl(1,:), lencounter(:)) plplenc_list%index2(1:nenc) = pack(pl%k_plpl(2,:), lencounter(:)) + plplenc_list%id1(1:nenc) = pl%id(plplenc_list%index1(1:nenc)) + plplenc_list%id2(1:nenc) = pl%id(plplenc_list%index2(1:nenc)) do k = 1, nenc plplenc_list%status(k) = ACTIVE plplenc_list%level(k) = irec @@ -178,6 +180,8 @@ module function symba_encounter_check_tp(self, system, dt, irec) result(lany_enc pltpenc_list%lvdotr(1:nenc) = pack(loc_lvdotr(:,:), lencounter(:,:)) pltpenc_list%index1(1:nenc) = pack(spread([(i, i = 1, npl)], dim=1, ncopies=ntp), lencounter(:,:)) pltpenc_list%index2(1:nenc) = pack(spread([(i, i = 1, ntp)], dim=2, ncopies=npl), lencounter(:,:)) + pltpenc_list%id1(1:nenc) = pl%id(pltpenc_list%index1(1:nenc)) + pltpenc_list%id2(1:nenc) = tp%id(pltpenc_list%index2(1:nenc)) select type(pl) class is (symba_pl) pl%lencounter(:) = .false. diff --git a/src/symba/symba_util.f90 b/src/symba/symba_util.f90 index 8340f6e14..2232b9599 100644 --- a/src/symba/symba_util.f90 +++ b/src/symba/symba_util.f90 @@ -395,12 +395,13 @@ module subroutine symba_util_rearray_pl(self, system, param) class(symba_parameters), intent(in) :: param !! Current run configuration parameters ! Internals class(symba_pl), allocatable :: tmp !! The discarded body list. - integer(I4B) :: i + integer(I4B) :: i, j, k logical, dimension(:), allocatable :: lmask class(symba_plplenc), allocatable :: plplenc_old logical :: lencounter associate(pl => self, pl_adds => system%pl_adds) + allocate(tmp, mold=pl) ! Remove the discards and destroy the list, as the system already tracks pl_discards elsewhere allocate(lmask, source=pl%ldiscard(:)) @@ -424,6 +425,7 @@ module subroutine symba_util_rearray_pl(self, system, param) allocate(lmask(pl%nbody)) lmask(:) = pl%status(1:pl%nbody) == NEW_PARTICLE + call symba_io_dump_particle_info(system, param, plidx=pack([(i, i=1, pl%nbody)], lmask)) where(pl%status(:) /= INACTIVE) pl%status(:) = ACTIVE @@ -431,8 +433,39 @@ module subroutine symba_util_rearray_pl(self, system, param) pl%lmtiny(:) = pl%Gmass(:) > param%GMTINY pl%nplm = count(pl%lmtiny(:)) - ! Reindex + ! Reindex the bodies and calculate the level 0 encounter list call pl%eucl_index() + lencounter = pl%encounter_check(system, param%dt, 0) + select type(tp => system%tp) + class is (symba_tp) + lencounter = tp%encounter_check(system, param%dt, 0) + end select + + associate(idnew1 => system%plplenc_list%id1, idnew2 => system%plplenc_list%id2, idold1 => plplenc_old%id1, idold2 => plplenc_old%id2) + do k = 1, system%plplenc_list%nenc + if ((idnew1(k) == idold1(k)) .and. (idnew2(k) == idold2(k))) then + ! This is an encounter we already know about, so save the old information + system%plplenc_list%lvdotr(k) = plplenc_old%lvdotr(k) + system%plplenc_list%status(k) = plplenc_old%status(k) + system%plplenc_list%x1(:,k) = plplenc_old%x1(:,k) + system%plplenc_list%x2(:,k) = plplenc_old%x2(:,k) + system%plplenc_list%v1(:,k) = plplenc_old%v1(:,k) + system%plplenc_list%v2(:,k) = plplenc_old%v2(:,k) + system%plplenc_list%t(k) = plplenc_old%t(k) + system%plplenc_list%level(k) = plplenc_old%level(k) + else if (((idnew1(k) == idold2(k)) .and. (idnew2(k) == idold1(k)))) then + ! This is an encounter we already know about, but with the order reversed, so save the old information + system%plplenc_list%lvdotr(k) = plplenc_old%lvdotr(k) + system%plplenc_list%status(k) = plplenc_old%status(k) + system%plplenc_list%x1(:,k) = plplenc_old%x2(:,k) + system%plplenc_list%x2(:,k) = plplenc_old%x1(:,k) + system%plplenc_list%v1(:,k) = plplenc_old%v2(:,k) + system%plplenc_list%v2(:,k) = plplenc_old%v1(:,k) + system%plplenc_list%t(k) = plplenc_old%t(k) + system%plplenc_list%level(k) = plplenc_old%level(k) + end if + end do + end associate end if @@ -956,4 +989,4 @@ module subroutine symba_util_spill_tp(self, discards, lspill_list, ldestructive) return end subroutine symba_util_spill_tp -end submodule s_symba_util \ No newline at end of file +end submodule s_symba_util diff --git a/src/util/util_append.f90 b/src/util/util_append.f90 index 6f35de54e..88755870f 100644 --- a/src/util/util_append.f90 +++ b/src/util/util_append.f90 @@ -200,6 +200,8 @@ module subroutine util_append_encounter(self, source, lsource_mask) call util_append(self%status, source%status, nold, nsrc, lsource_mask) call util_append(self%index1, source%index1, nold, nsrc, lsource_mask) call util_append(self%index2, source%index2, nold, nsrc, lsource_mask) + call util_append(self%id1, source%id1, nold, nsrc, lsource_mask) + call util_append(self%id2, source%id2, nold, nsrc, lsource_mask) call util_append(self%x1, source%x1, nold, nsrc, lsource_mask) call util_append(self%x2, source%x2, nold, nsrc, lsource_mask) call util_append(self%v1, source%v1, nold, nsrc, lsource_mask) diff --git a/src/util/util_copy.f90 b/src/util/util_copy.f90 index 87634a419..c8407416d 100644 --- a/src/util/util_copy.f90 +++ b/src/util/util_copy.f90 @@ -17,6 +17,8 @@ module subroutine util_copy_encounter(self, source) self%status(1:n) = source%status(1:n) self%index1(1:n) = source%index1(1:n) self%index2(1:n) = source%index2(1:n) + self%id1(1:n) = source%id1(1:n) + self%id2(1:n) = source%id2(1:n) self%x1(:,1:n) = source%x1(:,1:n) self%x2(:,1:n) = source%x2(:,1:n) self%v1(:,1:n) = source%v1(:,1:n) diff --git a/src/util/util_spill.f90 b/src/util/util_spill.f90 index a26fbfad7..954406d95 100644 --- a/src/util/util_spill.f90 +++ b/src/util/util_spill.f90 @@ -260,6 +260,8 @@ module subroutine util_spill_encounter(self, discards, lspill_list, ldestructive call util_spill(keeps%status, discards%status, lspill_list, ldestructive) call util_spill(keeps%index1, discards%index1, lspill_list, ldestructive) call util_spill(keeps%index2, discards%index2, lspill_list, ldestructive) + call util_spill(keeps%id1, discards%id1, lspill_list, ldestructive) + call util_spill(keeps%id2, discards%id2, lspill_list, ldestructive) call util_spill(keeps%x1, discards%x1, lspill_list, ldestructive) call util_spill(keeps%x2, discards%x2, lspill_list, ldestructive) call util_spill(keeps%v1, discards%v1, lspill_list, ldestructive) From fc9be8beaeb605b96c7dbeb9a853925c8f5ef1c5 Mon Sep 17 00:00:00 2001 From: David A Minton Date: Fri, 13 Aug 2021 12:29:02 -0400 Subject: [PATCH 14/36] Switched scaling in the fragmentation code to be based on relative velocity. Troubleshooting large L problem during radial velocity step --- .../mars_disk/param.swiftest.in | 2 +- src/fragmentation/fragmentation.f90 | 288 +++++++++++------- src/symba/symba_util.f90 | 7 +- src/util/util_minimize_bfgs.f90 | 22 +- 4 files changed, 193 insertions(+), 126 deletions(-) diff --git a/examples/symba_swifter_comparison/mars_disk/param.swiftest.in b/examples/symba_swifter_comparison/mars_disk/param.swiftest.in index 0d48de602..8427450f7 100644 --- a/examples/symba_swifter_comparison/mars_disk/param.swiftest.in +++ b/examples/symba_swifter_comparison/mars_disk/param.swiftest.in @@ -24,7 +24,7 @@ BIG_DISCARD no RHILL_PRESENT yes GMTINY 1000.0 ENERGY yes -FRAGMENTATION no +FRAGMENTATION yes ROTATION yes MU2KG 1.0 DU2M 1.0 diff --git a/src/fragmentation/fragmentation.f90 b/src/fragmentation/fragmentation.f90 index 90758048f..8c85bd8d6 100644 --- a/src/fragmentation/fragmentation.f90 +++ b/src/fragmentation/fragmentation.f90 @@ -27,14 +27,14 @@ module subroutine fragmentation_initialize(system, param, family, x, v, L_spin, real(DP), dimension(NDIM) :: xcom, vcom integer(I4B) :: ii, npl_new logical, dimension(:), allocatable :: lexclude - real(DP), dimension(NDIM, 2) :: rot, L_orb + real(DP), dimension(NDIM, 2) :: rot, L_orb, mxc, vc real(DP), dimension(:,:), allocatable :: x_frag, v_frag, v_r_unit, v_t_unit, v_h_unit real(DP), dimension(:), allocatable :: rmag, rotmag, v_r_mag, v_t_mag real(DP), dimension(NDIM) :: Ltot_before real(DP), dimension(NDIM) :: Ltot_after real(DP) :: Etot_before, ke_orbit_before, ke_spin_before, pe_before, Lmag_before real(DP) :: Etot_after, ke_orbit_after, ke_spin_after, pe_after, Lmag_after, dEtot, dLmag - real(DP), dimension(NDIM) :: L_frag_tot, L_frag_orb + real(DP), dimension(NDIM) :: L_frag_tot, L_frag_orb, L_frag_spin, L_frag_budget real(DP) :: ke_frag_budget, ke_frag_orbit, ke_radial, ke_frag_spin, ke_avg_deficit, ke_avg_deficit_old real(DP), dimension(NDIM) :: x_col_unit, y_col_unit, z_col_unit character(len=*), parameter :: fmtlabel = "(A14,10(ES11.4,1X,:))" @@ -44,7 +44,7 @@ module subroutine fragmentation_initialize(system, param, family, x, v, L_spin, real(DP), parameter :: Ltol = 10 * epsilon(1.0_DP) real(DP), parameter :: Etol = 1e-6_DP integer(I4B), parameter :: MAXTRY = 3000 - integer(I4B), parameter :: TANTRY = 3 + integer(I4B), parameter :: TANTRY = 100 logical, dimension(size(IEEE_ALL)) :: fpe_halting_modes, fpe_quiet_modes class(swiftest_nbody_system), allocatable :: tmpsys class(swiftest_parameters), allocatable :: tmpparam @@ -59,11 +59,27 @@ module subroutine fragmentation_initialize(system, param, family, x, v, L_spin, fpe_quiet_modes(:) = .false. call ieee_set_halting_mode(IEEE_ALL,fpe_quiet_modes) - f_spin = 0.05_DP + f_spin = 0.01_DP allocate(x_frag, source=xb_frag) allocate(v_frag, source=vb_frag) + allocate(rmag(nfrag)) + allocate(rotmag(nfrag)) + allocate(v_r_mag(nfrag)) + allocate(v_t_mag(nfrag)) + allocate(v_r_unit(NDIM,nfrag)) + allocate(v_t_unit(NDIM,nfrag)) + allocate(v_h_unit(NDIM,nfrag)) + + rmag(:) = 0.0_DP + rotmag(:) = 0.0_DP + v_r_mag(:) = 0.0_DP + v_t_mag(:) = 0.0_DP + v_r_unit(:,:) = 0.0_DP + v_t_unit(:,:) = 0.0_DP + v_h_unit(:,:) = 0.0_DP + associate(pl => system%pl, npl => system%pl%nbody) npl_new = npl + nfrag allocate(lexclude(npl_new)) @@ -72,6 +88,17 @@ module subroutine fragmentation_initialize(system, param, family, x, v, L_spin, end associate call set_scale_factors() + + ! Compute orbital angular momentum of pre-impact system + mxc(:, 1) = mass(1) * (x(:, 1) - xcom(:)) + mxc(:, 2) = mass(2) * (x(:, 2) - xcom(:)) + vc(:, 1) = v(:, 1) - vcom(:) + vc(:, 2) = v(:, 2) - vcom(:) + L_orb(:,:) = mxc(:,:) .cross. vc(:,:) + + ! Compute orbital angular momentum of pre-impact system. This will be the normal vector to the collision fragment plane + L_frag_budget(:) = L_spin(:, 1) + L_spin(:, 2) + L_orb(:, 1) + L_orb(:, 2) + call define_coordinate_system() call construct_temporary_system() @@ -88,23 +115,28 @@ module subroutine fragmentation_initialize(system, param, family, x, v, L_spin, ke_avg_deficit = 0.0_DP subtry = 1 do - ! Initialize the fragments with 0 velocity and spin so we can divide up the balance between the tangential, radial, and spin components while conserving momentum - xb_frag(:,:) = 0.0_DP - vb_frag(:,:) = 0.0_DP + ! Initialize the fragments with 0 relative velocity and spin so we can divide up the balance between the tangential, radial, and spin components while conserving momentum + do concurrent(ii = 1:nfrag) + xb_frag(:, ii) = xcom(:) + vb_frag(:, ii) = vcom(:) + end do rot_frag(:,:) = 0.0_DP v_t_mag(:) = 0.0_DP v_r_mag(:) = 0.0_DP call set_fragment_position_vectors() + call calculate_system_energy(linclude_fragments=.true.) ke_frag_budget = -dEtot - Qloss + L_frag_budget(:) = Ltot_after(:) - Ltot_before(:) + call define_coordinate_system() call set_fragment_tan_vel(lfailure) ke_avg_deficit = ke_avg_deficit - ke_radial subtry = subtry + 1 if (.not.lfailure .or. subtry == TANTRY) exit - !write(*,*) 'Trying new arrangement' + write(*,*) 'Trying new arrangement' end do ke_avg_deficit = ke_avg_deficit / subtry - !if (lfailure) write(*,*) 'Failed to find tangential velocities' + if (lfailure) write(*,*) 'Failed to find tangential velocities' if (.not.lfailure) then call calculate_system_energy(linclude_fragments=.true.) @@ -113,14 +145,14 @@ module subroutine fragmentation_initialize(system, param, family, x, v, L_spin, ! if (lfailure) write(*,*) 'Failed to find radial velocities' if (.not.lfailure) then call calculate_system_energy(linclude_fragments=.true.) - ! write(*,*) 'Qloss : ',Qloss - ! write(*,*) '-dEtot: ',-dEtot - ! write(*,*) 'delta : ',abs((dEtot + Qloss)) + write(*,*) 'Qloss : ',Qloss + write(*,*) '-dEtot: ',-dEtot + write(*,*) 'delta : ',abs((dEtot + Qloss)) if ((abs(dEtot + Qloss) > Etol) .or. (dEtot > 0.0_DP)) then - !write(*,*) 'Failed due to high energy error: ',dEtot, abs(dEtot + Qloss) / Etol + write(*,*) 'Failed due to high energy error: ',dEtot, abs(dEtot + Qloss) / Etol lfailure = .true. else if (abs(dLmag) / Lmag_before > Ltol) then - !write(*,*) 'Failed due to high angular momentum error: ', dLmag / Lmag_before + write(*,*) 'Failed due to high angular momentum error: ', dLmag / Lmag_before lfailure = .true. end if end if @@ -133,24 +165,24 @@ module subroutine fragmentation_initialize(system, param, family, x, v, L_spin, call restore_scale_factors() call calculate_system_energy(linclude_fragments=.true.) - ! write(*, "(' -------------------------------------------------------------------------------------')") - ! write(*, "(' Final diagnostic')") - ! write(*, "(' -------------------------------------------------------------------------------------')") - ! if (lfailure) then - ! write(*,*) "symba_frag_pos failed after: ",try," tries" - ! do ii = 1, nfrag - ! vb_frag(:, ii) = vcom(:) - ! end do - ! else - ! write(*,*) "symba_frag_pos succeeded after: ",try," tries" - ! write(*, "(' dL_tot should be very small' )") - ! write(*,fmtlabel) ' dL_tot |', dLmag / Lmag_before - ! write(*, "(' dE_tot should be negative and equal to Qloss' )") - ! write(*,fmtlabel) ' dE_tot |', dEtot / abs(Etot_before) - ! write(*,fmtlabel) ' Qloss |', -Qloss / abs(Etot_before) - ! write(*,fmtlabel) ' dE - Qloss |', (Etot_after - Etot_before + Qloss) / abs(Etot_before) - ! end if - ! write(*, "(' -------------------------------------------------------------------------------------')") + write(*, "(' -------------------------------------------------------------------------------------')") + write(*, "(' Final diagnostic')") + write(*, "(' -------------------------------------------------------------------------------------')") + if (lfailure) then + write(*,*) "symba_frag_pos failed after: ",try," tries" + do ii = 1, nfrag + vb_frag(:, ii) = vcom(:) + end do + else + write(*,*) "symba_frag_pos succeeded after: ",try," tries" + write(*, "(' dL_tot should be very small' )") + write(*,fmtlabel) ' dL_tot |', dLmag / Lmag_before + write(*, "(' dE_tot should be negative and equal to Qloss' )") + write(*,fmtlabel) ' dE_tot |', dEtot / abs(Etot_before) + write(*,fmtlabel) ' Qloss |', -Qloss / abs(Etot_before) + write(*,fmtlabel) ' dE - Qloss |', (Etot_after - Etot_before + Qloss) / abs(Etot_before) + end if + write(*, "(' -------------------------------------------------------------------------------------')") call ieee_set_halting_mode(IEEE_ALL,fpe_halting_modes) ! Save the current halting modes so we can turn them off temporarily @@ -175,7 +207,7 @@ subroutine set_scale_factors() ! Set scale factors dscale = sum(radius(:)) mscale = mtot - vscale = (mass(1) * norm2(v(:,1) - vcom(:)) + mass(2) * norm2(v(:,2) - vcom(:))) / mtot + vscale = norm2(v(:,1) - v(:,2)) tscale = dscale / vscale Lscale = mscale * dscale * vscale Escale = mscale * vscale**2 @@ -270,37 +302,9 @@ subroutine define_coordinate_system() !! Defines the collisional coordinate system, including the unit vectors of both the system and individual fragments. implicit none integer(I4B) :: i - real(DP), dimension(NDIM) :: x_cross_v, xc, vc, delta_r, delta_v + real(DP), dimension(NDIM) :: x_cross_v, delta_r, delta_v, L_sigma real(DP) :: r_col_norm, v_col_norm - allocate(rmag(nfrag)) - allocate(rotmag(nfrag)) - allocate(v_r_mag(nfrag)) - allocate(v_t_mag(nfrag)) - allocate(v_r_unit(NDIM,nfrag)) - allocate(v_t_unit(NDIM,nfrag)) - allocate(v_h_unit(NDIM,nfrag)) - - rmag(:) = 0.0_DP - rotmag(:) = 0.0_DP - v_r_mag(:) = 0.0_DP - v_t_mag(:) = 0.0_DP - v_r_unit(:,:) = 0.0_DP - v_t_unit(:,:) = 0.0_DP - v_h_unit(:,:) = 0.0_DP - - L_orb(:, :) = 0.0_DP - ! Compute orbital angular momentum of pre-impact system - do i = 1, 2 - xc(:) = x(:, i) - xcom(:) - vc(:) = v(:, i) - vcom(:) - x_cross_v(:) = xc(:) .cross. vc(:) - L_orb(:, i) = mass(i) * x_cross_v(:) - end do - - ! Compute orbital angular momentum of pre-impact system. This will be the normal vector to the collision fragment plane - L_frag_tot(:) = L_spin(:, 1) + L_spin(:, 2) + L_orb(:, 1) + L_orb(:, 2) - delta_v(:) = v(:, 2) - v(:, 1) v_col_norm = norm2(delta_v(:)) delta_r(:) = x(:, 2) - x(:, 1) @@ -309,10 +313,21 @@ subroutine define_coordinate_system() ! We will initialize fragments on a plane defined by the pre-impact system, with the z-axis aligned with the angular momentum vector ! and the y-axis aligned with the pre-impact distance vector. y_col_unit(:) = delta_r(:) / r_col_norm - z_col_unit(:) = L_frag_tot(:) / norm2(L_frag_tot) + z_col_unit(:) = L_frag_budget(:) / norm2(L_frag_budget) ! The cross product of the y- by z-axis will give us the x-axis x_col_unit(:) = y_col_unit(:) .cross. z_col_unit(:) + rmag(:) = .mag. x_frag(:,:) + + do i = 1, nfrag + v_r_unit(:, i) = x_frag(:, i) / rmag(i) + call random_number(L_sigma(:)) ! Randomize the tangential velocity direction. This helps to ensure that the tangential velocity doesn't completely line up with the angular momentum vector, + ! otherwise we can get an ill-conditioned system + v_h_unit(:, i) = z_col_unit(:) + 2e-1_DP * (L_sigma(:) - 0.5_DP) + v_h_unit(:, i) = v_h_unit(:, i) / norm2(v_h_unit(:, i)) + v_t_unit(:, i) = v_h_unit(:, i) .cross. v_r_unit(:, i) + end do + return end subroutine define_coordinate_system @@ -455,7 +470,7 @@ subroutine calculate_system_energy(linclude_fragments) ke_orbit_after = tmpsys%ke_orbit ke_spin_after = tmpsys%ke_spin pe_after = tmpsys%pe - Etot_after = ke_orbit_after + ke_spin_after + pe_after + Etot_after = tmpsys%te dEtot = Etot_after - Etot_before dLmag = norm2(Ltot_after(:) - Ltot_before(:)) else @@ -464,7 +479,7 @@ subroutine calculate_system_energy(linclude_fragments) ke_orbit_before = tmpsys%ke_orbit ke_spin_before = tmpsys%ke_spin pe_before = tmpsys%pe - Etot_before = ke_orbit_before + ke_spin_before + pe_before + Etot_before = tmpsys%te end if end associate @@ -472,6 +487,27 @@ subroutine calculate_system_energy(linclude_fragments) end subroutine calculate_system_energy + subroutine calculate_fragment_ang_mtm() + !! Author: David A. Minton + !! + !! Calcualtes the current angular momentum of the fragments + implicit none + integer(I4B) :: i + + L_frag_orb(:) = 0.0_DP + L_frag_spin(:) = 0.0_DP + + do i = 1, nfrag + L_frag_orb(:) = L_frag_orb(:) + m_frag(i) * x_frag(:, i) .cross. v_frag(:, i) + L_frag_spin(:) = L_frag_spin(:) + m_frag(i) * rad_frag(i)**2 * Ip_frag(3, i) .cross. rot_frag(:, i) + end do + + L_frag_tot(:) = L_frag_orb(:) + L_frag_spin(:) + + return + end subroutine calculate_fragment_ang_mtm + + subroutine shift_vector_to_origin(m_frag, vec_frag) !! Author: Jennifer L.L. Pouplin, Carlisle A. Wishard, and David A. Minton !! @@ -508,7 +544,6 @@ subroutine set_fragment_position_vectors() implicit none real(DP) :: dis, rad - real(DP), dimension(NDIM) :: L_sigma logical, dimension(:), allocatable :: loverlap integer(I4B) :: i, j @@ -526,7 +561,7 @@ subroutine set_fragment_position_vectors() loverlap(:) = .true. do while (any(loverlap(3:nfrag))) x_frag(:, 1) = x(:, 1) - xcom(:) - x_frag(:, 2) = x(:, 2) - xcom(:) + x_frag(:, 2) = x(:, 2) - xcom(:) r_max = r_max + 0.1_DP * rad do i = 3, nfrag if (loverlap(i)) then @@ -543,15 +578,9 @@ subroutine set_fragment_position_vectors() end do end do call shift_vector_to_origin(m_frag, x_frag) + call define_coordinate_system() do i = 1, nfrag - rmag(i) = norm2(x_frag(:, i)) - v_r_unit(:, i) = x_frag(:, i) / rmag(i) - call random_number(L_sigma(:)) ! Randomize the tangential velocity direction. This helps to ensure that the tangential velocity doesn't completely line up with the angular momentum vector, - ! otherwise we can get an ill-conditioned system - v_h_unit(:, i) = z_col_unit(:) + 2e-1_DP * (L_sigma(:) - 0.5_DP) - v_h_unit(:, i) = v_h_unit(:, i) / norm2(v_h_unit(:, i)) - v_t_unit(:, i) = v_h_unit(:, i) .cross. v_r_unit(:, i) xb_frag(:,i) = x_frag(:,i) + xcom(:) end do @@ -585,12 +614,14 @@ subroutine set_fragment_tan_vel(lerr) logical, intent(out) :: lerr ! Internals integer(I4B) :: i - real(DP), parameter :: TOL = 1e-4_DP + real(DP), parameter :: TOL_MIN = 1e-1_DP ! This doesn't have to be very accurate, as we really just want a tangential velocity distribution with less kinetic energy than our initial guess. + real(DP), parameter :: TOL_INIT = 1e-12_DP + real(DP) :: tol real(DP), dimension(:), allocatable :: v_t_initial real(DP), dimension(nfrag) :: kefrag type(lambda_obj) :: spinfunc type(lambda_obj_err) :: objective_function - real(DP), dimension(NDIM) :: L_frag_spin, L_remainder, Li, rot_L, rot_ke + real(DP), dimension(NDIM) :: L_remainder, Li, rot_L, rot_ke lerr = .false. @@ -603,69 +634,87 @@ subroutine set_fragment_tan_vel(lerr) allocate(v_t_initial, mold=v_t_mag) - L_frag_spin(:) = 0.0_DP + vb_frag(:,:) = 0.0_DP + ke_frag_spin = 0.0_DP ! Start the first two bodies with the same rotation as the original two impactors, then distribute the remaining angular momentum among the rest - do i = 1, 2 - rot_frag(:, i) = rot(:, i) - L_frag_spin(:) = L_frag_spin(:) + m_frag(i) * rad_frag(i)**2 * Ip_frag(3, i) * rot_frag(:, i) - end do - L_frag_orb(:) = L_frag_tot(:) - L_frag_spin(:) - L_frag_spin(:) = 0.0_DP + rot_frag(:,1:2) = rot(:, :) + rot_frag(:,3:nfrag) = 0.0_DP + call calculate_fragment_ang_mtm() + L_remainder(:) = L_frag_budget(:) - L_frag_spin(:) + do i = 1, nfrag ! Convert a fraction (f_spin) of either the remaining angular momentum or kinetic energy budget into spin, whichever gives the smaller rotation so as not to blow any budgets - rot_ke(:) = sqrt(2 * f_spin * ke_frag_budget / (nfrag * m_frag(i) * rad_frag(i)**2 * Ip_frag(3, i))) * L_frag_orb(:) / norm2(L_frag_orb(:)) - rot_L(:) = f_spin * L_frag_orb(:) / (nfrag * m_frag(i) * rad_frag(i)**2 * Ip_frag(3, i)) + rot_ke(:) = sqrt(2 * f_spin * ke_frag_budget / (nfrag * m_frag(i) * rad_frag(i)**2 * Ip_frag(3, i))) * L_remainder(:) / norm2(L_remainder(:)) + rot_L(:) = f_spin * L_remainder(:) / (nfrag * m_frag(i) * rad_frag(i)**2 * Ip_frag(3, i)) if (norm2(rot_ke) < norm2(rot_L)) then rot_frag(:,i) = rot_frag(:, i) + rot_ke(:) else rot_frag(:, i) = rot_frag(:, i) + rot_L(:) end if - L_frag_spin(:) = L_frag_spin(:) + m_frag(i) * rad_frag(i)**2 * Ip_frag(3, i) * rot_frag(:, i) ke_frag_spin = ke_frag_spin + m_frag(i) * Ip_frag(3, i) * rad_frag(i)**2 * dot_product(rot_frag(:, i), rot_frag(:, i)) end do ke_frag_spin = 0.5_DP * ke_frag_spin - ! Convert a fraction of the pre-impact angular momentum into fragment spin angular momentum - L_frag_orb(:) = L_frag_tot(:) - L_frag_spin(:) - L_remainder(:) = L_frag_orb(:) + + call calculate_fragment_ang_mtm() + write(*,*) '1: L_remainder : ',norm2(L_frag_budget(:) - L_frag_tot(:)) + ! Next we will solve for the tangential component of the velocities that both conserves linear momentum and uses the remaining angular momentum not used in spin. ! This will be done using a linear solver that solves for the tangential velocities of the first 6 fragments, constrained by the linear and angular momentum vectors, ! which is embedded in a non-linear minimizer that will adjust the tangential velocities of the remaining i>6 fragments to minimize kinetic energy for a given momentum solution ! The initial conditions fed to the minimizer for the fragments will be the remaining angular momentum distributed between the fragments. do i = 1, nfrag - v_t_initial(i) = norm2(L_remainder(:)) / ((nfrag - i + 1) * m_frag(i) * norm2(x_frag(:,i))) - Li(:) = m_frag(i) * x_frag(:,i) .cross. v_t_initial(i) * v_t_unit(:, i) - L_remainder(:) = L_remainder(:) - Li(:) + Li(:) = (L_frag_budget(:) - L_frag_spin(:)) / nfrag + v_t_initial(i) = norm2(Li(:)) / (m_frag(i) * norm2(x_frag(:,i))) + end do + + v_t_mag(:) = v_t_initial(:) + vb_frag(:,1:nfrag) = vmag_to_vb(v_r_mag(1:nfrag), v_r_unit(:,1:nfrag), v_t_mag(1:nfrag), v_t_unit(:,1:nfrag), m_frag(1:nfrag), vcom(:)) + do i = 1, nfrag + v_frag(:,i) = vb_frag(:,i) - vcom(:) end do + call calculate_fragment_ang_mtm() + write(*,*) '2: L_remainder : ',norm2(L_frag_budget(:) - L_frag_tot(:)) ! Find the local kinetic energy minimum for the system that conserves linear and angular momentum objective_function = lambda_obj(tangential_objective_function, lerr) - v_t_mag(7:nfrag) = util_minimize_bfgs(objective_function, nfrag-6, v_t_initial(7:nfrag), TOL, lerr) - ! Now that the KE-minimized values of the i>6 fragments are found, calculate the momentum-conserving solution for tangential velociteis - v_t_initial(7:nfrag) = v_t_mag(7:nfrag) + + tol = TOL_INIT + do while(tol < TOL_MIN) + v_t_mag(7:nfrag) = util_minimize_bfgs(objective_function, nfrag-6, v_t_initial(7:nfrag), TOL, lerr) + ! Now that the KE-minimized values of the i>6 fragments are found, calculate the momentum-conserving solution for tangential velociteis + v_t_initial(7:nfrag) = v_t_mag(7:nfrag) + if (.not.lerr) exit + tol = tol * 2 ! Keep increasing the tolerance until we converge on a solution + end do v_t_mag(1:nfrag) = solve_fragment_tan_vel(v_t_mag_input=v_t_initial(7:nfrag), lerr=lerr) ! Perform one final shift of the radial velocity vectors to align with the center of mass of the collisional system (the origin) vb_frag(:,1:nfrag) = vmag_to_vb(v_r_mag(1:nfrag), v_r_unit(:,1:nfrag), v_t_mag(1:nfrag), v_t_unit(:,1:nfrag), m_frag(1:nfrag), vcom(:)) + do i = 1, nfrag + v_frag(:,i) = vb_frag(:,i) - vcom(:) + end do call add_fragments_to_tmpsys() ! Now do a kinetic energy budget check to make sure we are still within the budget. kefrag = 0.0_DP do concurrent(i = 1:nfrag) v_frag(:, i) = vb_frag(:, i) - vcom(:) - kefrag(i) = m_frag(i) * dot_product(vb_frag(:, i), vb_frag(:, i)) + kefrag(i) = m_frag(i) * dot_product(v_frag(:, i), v_frag(:, i)) end do ke_frag_orbit = 0.5_DP * sum(kefrag(:)) ke_radial = ke_frag_budget - ke_frag_orbit - ke_frag_spin + call calculate_fragment_ang_mtm() + write(*,*) '3: L_remainder : ',norm2(L_frag_budget(:) - L_frag_tot(:)) ! If we are over the energy budget, flag this as a failure so we can try again lerr = (ke_radial < 0.0_DP) - ! write(*,*) 'Tangential' - ! write(*,*) 'Failure? ',lerr - ! write(*,*) 'ke_frag_budget: ',ke_frag_budget - ! write(*,*) 'ke_frag_spin : ',ke_frag_spin - ! write(*,*) 'ke_tangential : ',ke_frag_orbit - ! write(*,*) 'ke_remainder : ',ke_radial + write(*,*) 'Tangential' + write(*,*) 'Failure? ',lerr + write(*,*) 'ke_frag_budget: ',ke_frag_budget + write(*,*) 'ke_frag_spin : ',ke_frag_spin + write(*,*) 'ke_tangential : ',ke_frag_orbit + write(*,*) 'ke_remainder : ',ke_radial return end subroutine set_fragment_tan_vel @@ -694,7 +743,7 @@ function tangential_objective_function(v_t_mag_input, lerr) result(fval) kearr = 0.0_DP do concurrent(i = 1:nfrag) - kearr(i) = m_frag(i) * dot_product(v_shift(:, i), v_shift(:, i)) + kearr(i) = m_frag(i) * dot_product(v_shift(:, i) - vcom(:), v_shift(:, i) - vcom(:)) end do keo = 0.5_DP * sum(kearr(:)) fval = keo @@ -737,8 +786,8 @@ function solve_fragment_tan_vel(lerr, v_t_mag_input) result(v_t_mag_output) else if (present(v_t_mag_input)) then vtmp(:) = v_t_mag_input(i - 6) * v_t_unit(:, i) L_lin_others(:) = L_lin_others(:) + m_frag(i) * vtmp(:) - L(:) = x_frag(:, i) .cross. vtmp(:) - L_orb_others(:) = L_orb_others(:) + m_frag(i) * L(:) + L(:) = m_frag(i) * x_frag(:, i) .cross. vtmp(:) + L_orb_others(:) = L_orb_others(:) + L(:) end if end do b(1:3) = -L_lin_others(:) @@ -760,7 +809,9 @@ subroutine set_fragment_radial_velocities(lerr) ! Arguments logical, intent(out) :: lerr ! Internals - real(DP), parameter :: TOL = 1e-10_DP + real(DP), parameter :: TOL_MIN = 1e-8_DP ! This needs to be more accurate than the tangential step, as we are trying to minimize the total residual energy + real(DP), parameter :: TOL_INIT = 1e-14_DP + real(DP) :: tol integer(I4B) :: i, j real(DP), dimension(:), allocatable :: v_r_initial, v_r_sigma real(DP), dimension(:,:), allocatable :: v_r @@ -779,7 +830,14 @@ subroutine set_fragment_radial_velocities(lerr) ! Initialize the lambda function using a structure constructor that calls the init method ! Minimize the ke objective function using the BFGS optimizer objective_function = lambda_obj(radial_objective_function) - v_r_mag = util_minimize_bfgs(objective_function, nfrag, v_r_initial, TOL, lerr) + tol = TOL_INIT + do while(tol < TOL_MIN) + v_r_mag = util_minimize_bfgs(objective_function, nfrag, v_r_initial, tol, lerr) + if (.not.lerr) exit + tol = tol * 2 ! Keep increasing the tolerance until we converge on a solution + v_r_initial(:) = v_r_mag(:) + end do + ! Shift the radial velocity vectors to align with the center of mass of the collisional system (the origin) vb_frag(:,1:nfrag) = vmag_to_vb(v_r_mag(1:nfrag), v_r_unit(:,1:nfrag), v_t_mag(1:nfrag), v_t_unit(:,1:nfrag), m_frag(1:nfrag), vcom(:)) do i = 1, nfrag @@ -788,17 +846,17 @@ subroutine set_fragment_radial_velocities(lerr) call add_fragments_to_tmpsys() do concurrent(i = 1:nfrag) - kearr(i) = m_frag(i) * dot_product(vb_frag(:, i), vb_frag(:, i)) + kearr(i) = m_frag(i) * dot_product(v_frag(:, i), v_frag(:, i)) kespinarr(i) = m_frag(i) * Ip_frag(3, i) * rad_frag(i)**2 * dot_product(rot_frag(:,i), rot_frag(:,i)) end do ke_frag_orbit = 0.5_DP * sum(kearr(:)) ke_frag_spin = 0.5_DP * sum(kespinarr(:)) - ! write(*,*) 'Radial' - ! write(*,*) 'Failure? ',lerr - ! write(*,*) 'ke_frag_budget: ',ke_frag_budget - ! write(*,*) 'ke_frag_spin : ',ke_frag_spin - ! write(*,*) 'ke_frag_orbit : ',ke_frag_orbit - ! write(*,*) 'ke_remainder : ',ke_frag_budget - (ke_frag_orbit + ke_frag_spin) + write(*,*) 'Radial' + write(*,*) 'Failure? ',lerr + write(*,*) 'ke_frag_budget: ',ke_frag_budget + write(*,*) 'ke_frag_spin : ',ke_frag_spin + write(*,*) 'ke_frag_orbit : ',ke_frag_orbit + write(*,*) 'ke_remainder : ',ke_frag_budget - (ke_frag_orbit + ke_frag_spin) lerr = .false. return @@ -824,7 +882,7 @@ function radial_objective_function(v_r_mag_input) result(fval) allocate(v_shift, mold=vb_frag) v_shift(:,:) = vmag_to_vb(v_r_mag_input, v_r_unit, v_t_mag, v_t_unit, m_frag, vcom) do concurrent(i = 1:nfrag) - kearr(i) = m_frag(i) * (Ip_frag(3, i) * rad_frag(i)**2 * dot_product(rot_frag(:, i), rot_frag(:, i)) + dot_product(v_shift(:, i), v_shift(:, i))) + kearr(i) = m_frag(i) * (Ip_frag(3, i) * rad_frag(i)**2 * dot_product(rot_frag(:, i), rot_frag(:, i)) + dot_product(v_shift(:, i) - vcom(:), v_shift(:, i) - vcom(:))) end do keo = 2 * ke_frag_budget - sum(kearr(:)) ! The following ensures that fval = 0 is a local minimum, which is what the BFGS method is searching for diff --git a/src/symba/symba_util.f90 b/src/symba/symba_util.f90 index 2232b9599..caa60c7c3 100644 --- a/src/symba/symba_util.f90 +++ b/src/symba/symba_util.f90 @@ -402,7 +402,7 @@ module subroutine symba_util_rearray_pl(self, system, param) associate(pl => self, pl_adds => system%pl_adds) - allocate(tmp, mold=pl) + allocate(tmp, mold=self) ! Remove the discards and destroy the list, as the system already tracks pl_discards elsewhere allocate(lmask, source=pl%ldiscard(:)) lmask(:) = lmask(:) .or. pl%status(:) == INACTIVE @@ -466,6 +466,7 @@ module subroutine symba_util_rearray_pl(self, system, param) end if end do end associate + call move_alloc(plplenc_old, system%plplenc_list) end if @@ -713,7 +714,7 @@ module subroutine symba_util_sort_rearrange_arr_info(arr, ind, n) type(symba_particle_info), dimension(:), allocatable :: tmp !! Temporary copy of array used during rearrange operation if (.not. allocated(arr) .or. n <= 0) return - allocate(tmp, mold=arr) + allocate(tmp, source=arr) tmp(1:n) = arr(ind(1:n)) call move_alloc(tmp, arr) @@ -735,7 +736,7 @@ module subroutine symba_util_sort_rearrange_arr_kin(arr, ind, n) integer(I4B) :: i,j if (.not. allocated(arr) .or. n <= 0) return - allocate(tmp, mold=arr) + allocate(tmp, source=arr) tmp(1:n) = arr(ind(1:n)) do i = 1, n diff --git a/src/util/util_minimize_bfgs.f90 b/src/util/util_minimize_bfgs.f90 index fbd48c8c2..8d8ce6b1a 100644 --- a/src/util/util_minimize_bfgs.f90 +++ b/src/util/util_minimize_bfgs.f90 @@ -28,7 +28,7 @@ module function util_minimize_bfgs(f, N, x0, eps, lerr) result(x1) real(DP), dimension(:), allocatable :: x1 ! Internals integer(I4B) :: i, j, k, l, conv, num - integer(I4B), parameter :: MAXLOOP = 1000 !! Maximum number of loops before method is determined to have failed + integer(I4B), parameter :: MAXLOOP = 10 !! Maximum number of loops before method is determined to have failed real(DP), parameter :: graddelta = 1e-4_DP !! Delta x for gradient calculations real(DP), dimension(N) :: S !! Direction vectors real(DP), dimension(N,N) :: H !! Approximated inverse Hessian matrix @@ -59,14 +59,20 @@ module function util_minimize_bfgs(f, N, x0, eps, lerr) result(x1) do i = 1, MAXLOOP !check for convergence conv = count(abs(grad1(:)) > eps) + ! write(*,*) 'loop: ', i + ! write(*,*) 'conv: ', conv + ! write(*,*) 'grad1 / eps' + ! do j = 1, N + ! write(*,*) j, abs(grad1(j)) / eps + ! end do if (conv == 0) then - !write(*,*) "BFGS converged on gradient after ",i," iterations" + ! write(*,*) "BFGS converged on gradient after ",i," iterations" exit end if S(:) = -matmul(H(:,:), grad1(:)) astar = minimize1D(f, x1, S, N, graddelta, lerr) if (lerr) then - !write(*,*) "Exiting BFGS with error in minimize1D step" + ! write(*,*) "Exiting BFGS with error in minimize1D step" exit end if ! Get new x values @@ -86,7 +92,7 @@ module function util_minimize_bfgs(f, N, x0, eps, lerr) result(x1) end do ! prevent divide by zero (convergence) if (abs(Py) < tiny(Py)) then - !write(*,*) "BFGS Converged on tiny Py after ",i," iterations" + ! write(*,*) "BFGS Converged on tiny Py after ",i," iterations" exit end if ! set up update @@ -110,13 +116,13 @@ module function util_minimize_bfgs(f, N, x0, eps, lerr) result(x1) if (any(fpe_flag)) exit if (i == MAXLOOP) then lerr = .true. - !write(*,*) "BFGS ran out of loops!" + ! write(*,*) "BFGS ran out of loops!" end if end do call ieee_get_flag(ieee_usual, fpe_flag) lerr = lerr .or. any(fpe_flag) - !if (any(fpe_flag)) write(*,*) 'BFGS did not converge due to fpe' - !if (lerr) write(*,*) "BFGS did not converge!" + ! if (any(fpe_flag)) write(*,*) 'BFGS did not converge due to fpe' + ! if (lerr) write(*,*) "BFGS did not converge!" call ieee_set_status(original_fpe_status) return @@ -180,6 +186,7 @@ function gradf(f, N, x1, dx, lerr) result(grad) return end function gradf + function minimize1D(f, x0, S, N, eps, lerr) result(astar) !! - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - !! This program find the minimum of a function of N variables in a single direction @@ -253,6 +260,7 @@ function minimize1D(f, x0, S, N, eps, lerr) result(astar) return end function minimize1D + function n2one(f, x0, S, N, a, lerr) result(fnew) implicit none ! Arguments From 7144a8232db36850b450e8dcb9bc2a5f0a0e5b4f Mon Sep 17 00:00:00 2001 From: David A Minton Date: Fri, 13 Aug 2021 16:27:03 -0400 Subject: [PATCH 15/36] Fixed some scaling issues and rearranged the fragmentation code. Still not converging reliably --- src/fragmentation/fragmentation.f90 | 73 +++++++++++++++-------------- 1 file changed, 38 insertions(+), 35 deletions(-) diff --git a/src/fragmentation/fragmentation.f90 b/src/fragmentation/fragmentation.f90 index 8c85bd8d6..56fb4f2ad 100644 --- a/src/fragmentation/fragmentation.f90 +++ b/src/fragmentation/fragmentation.f90 @@ -59,7 +59,7 @@ module subroutine fragmentation_initialize(system, param, family, x, v, L_spin, fpe_quiet_modes(:) = .false. call ieee_set_halting_mode(IEEE_ALL,fpe_quiet_modes) - f_spin = 0.01_DP + f_spin = 0.1_DP allocate(x_frag, source=xb_frag) allocate(v_frag, source=vb_frag) @@ -116,10 +116,14 @@ module subroutine fragmentation_initialize(system, param, family, x, v, L_spin, subtry = 1 do ! Initialize the fragments with 0 relative velocity and spin so we can divide up the balance between the tangential, radial, and spin components while conserving momentum - do concurrent(ii = 1:nfrag) - xb_frag(:, ii) = xcom(:) - vb_frag(:, ii) = vcom(:) - end do + !do concurrent(ii = 1:nfrag) + ! xb_frag(:, ii) = xcom(:) + ! vb_frag(:, ii) = vcom(:) + !end do + xb_frag(:,:) = 0.0_DP + vb_frag(:,:) = 0.0_DP + x_frag(:,:) = 0.0_DP + v_frag(:,:) = 0.0_DP rot_frag(:,:) = 0.0_DP v_t_mag(:) = 0.0_DP v_r_mag(:) = 0.0_DP @@ -127,7 +131,7 @@ module subroutine fragmentation_initialize(system, param, family, x, v, L_spin, call calculate_system_energy(linclude_fragments=.true.) ke_frag_budget = -dEtot - Qloss - L_frag_budget(:) = Ltot_after(:) - Ltot_before(:) + L_frag_budget(:) = Ltot_after(:) - Ltot_before(:) + mtot * (xcom(:) .cross. vcom(:)) call define_coordinate_system() call set_fragment_tan_vel(lfailure) ke_avg_deficit = ke_avg_deficit - ke_radial @@ -207,7 +211,7 @@ subroutine set_scale_factors() ! Set scale factors dscale = sum(radius(:)) mscale = mtot - vscale = norm2(v(:,1) - v(:,2)) + vscale = sqrt(0.5_DP) * (norm2(v(:,1)) + norm2(v(:,2))) tscale = dscale / vscale Lscale = mscale * dscale * vscale Escale = mscale * vscale**2 @@ -302,30 +306,31 @@ subroutine define_coordinate_system() !! Defines the collisional coordinate system, including the unit vectors of both the system and individual fragments. implicit none integer(I4B) :: i - real(DP), dimension(NDIM) :: x_cross_v, delta_r, delta_v, L_sigma + real(DP), dimension(NDIM) :: x_cross_v, delta_r, delta_v real(DP) :: r_col_norm, v_col_norm + real(DP), dimension(NDIM, nfrag) :: L_sigma delta_v(:) = v(:, 2) - v(:, 1) - v_col_norm = norm2(delta_v(:)) + v_col_norm = .mag. delta_v(:) delta_r(:) = x(:, 2) - x(:, 1) - r_col_norm = norm2(delta_r(:)) + r_col_norm = .mag. delta_r(:) ! We will initialize fragments on a plane defined by the pre-impact system, with the z-axis aligned with the angular momentum vector ! and the y-axis aligned with the pre-impact distance vector. y_col_unit(:) = delta_r(:) / r_col_norm - z_col_unit(:) = L_frag_budget(:) / norm2(L_frag_budget) + z_col_unit(:) = L_frag_budget(:) / (.mag. L_frag_budget) ! The cross product of the y- by z-axis will give us the x-axis x_col_unit(:) = y_col_unit(:) .cross. z_col_unit(:) rmag(:) = .mag. x_frag(:,:) - - do i = 1, nfrag - v_r_unit(:, i) = x_frag(:, i) / rmag(i) - call random_number(L_sigma(:)) ! Randomize the tangential velocity direction. This helps to ensure that the tangential velocity doesn't completely line up with the angular momentum vector, + call random_number(L_sigma(:,:)) ! Randomize the tangential velocity direction. This helps to ensure that the tangential velocity doesn't completely line up with the angular momentum vector, ! otherwise we can get an ill-conditioned system - v_h_unit(:, i) = z_col_unit(:) + 2e-1_DP * (L_sigma(:) - 0.5_DP) - v_h_unit(:, i) = v_h_unit(:, i) / norm2(v_h_unit(:, i)) + do concurrent(i = 1:nfrag, rmag(i) > 0.0_DP) + v_r_unit(:, i) = x_frag(:, i) / rmag(i) + v_h_unit(:, i) = z_col_unit(:) + 2e-1_DP * (L_sigma(:,i) - 0.5_DP) + v_h_unit(:, i) = v_h_unit(:, i) / (.mag. v_h_unit(:, i)) v_t_unit(:, i) = v_h_unit(:, i) .cross. v_r_unit(:, i) + v_t_unit(:, i) = v_t_unit(:, i) / (.mag. v_t_unit(:, i)) end do return @@ -498,8 +503,8 @@ subroutine calculate_fragment_ang_mtm() L_frag_spin(:) = 0.0_DP do i = 1, nfrag - L_frag_orb(:) = L_frag_orb(:) + m_frag(i) * x_frag(:, i) .cross. v_frag(:, i) - L_frag_spin(:) = L_frag_spin(:) + m_frag(i) * rad_frag(i)**2 * Ip_frag(3, i) .cross. rot_frag(:, i) + L_frag_orb(:) = L_frag_orb(:) + m_frag(i) * (x_frag(:, i) .cross. v_frag(:, i)) + L_frag_spin(:) = L_frag_spin(:) + m_frag(i) * rad_frag(i)**2 * Ip_frag(:, i) * rot_frag(:, i) end do L_frag_tot(:) = L_frag_orb(:) + L_frag_spin(:) @@ -634,6 +639,7 @@ subroutine set_fragment_tan_vel(lerr) allocate(v_t_initial, mold=v_t_mag) + v_frag(:,:) = 0.0_DP vb_frag(:,:) = 0.0_DP ke_frag_spin = 0.0_DP @@ -657,24 +663,22 @@ subroutine set_fragment_tan_vel(lerr) ke_frag_spin = 0.5_DP * ke_frag_spin call calculate_fragment_ang_mtm() - write(*,*) '1: L_remainder : ',norm2(L_frag_budget(:) - L_frag_tot(:)) + L_remainder(:) = L_frag_budget(:) - L_frag_tot(:) ! Next we will solve for the tangential component of the velocities that both conserves linear momentum and uses the remaining angular momentum not used in spin. ! This will be done using a linear solver that solves for the tangential velocities of the first 6 fragments, constrained by the linear and angular momentum vectors, ! which is embedded in a non-linear minimizer that will adjust the tangential velocities of the remaining i>6 fragments to minimize kinetic energy for a given momentum solution ! The initial conditions fed to the minimizer for the fragments will be the remaining angular momentum distributed between the fragments. - do i = 1, nfrag - Li(:) = (L_frag_budget(:) - L_frag_spin(:)) / nfrag + Li(:) = L_remainder(:) / nfrag + do concurrent (i = 1:nfrag) v_t_initial(i) = norm2(Li(:)) / (m_frag(i) * norm2(x_frag(:,i))) end do v_t_mag(:) = v_t_initial(:) vb_frag(:,1:nfrag) = vmag_to_vb(v_r_mag(1:nfrag), v_r_unit(:,1:nfrag), v_t_mag(1:nfrag), v_t_unit(:,1:nfrag), m_frag(1:nfrag), vcom(:)) - do i = 1, nfrag - v_frag(:,i) = vb_frag(:,i) - vcom(:) + do concurrent(i = 1:nfrag) + v_frag(:, i) = vb_frag(:, i) - vcom(:) end do - call calculate_fragment_ang_mtm() - write(*,*) '2: L_remainder : ',norm2(L_frag_budget(:) - L_frag_tot(:)) ! Find the local kinetic energy minimum for the system that conserves linear and angular momentum objective_function = lambda_obj(tangential_objective_function, lerr) @@ -691,7 +695,7 @@ subroutine set_fragment_tan_vel(lerr) ! Perform one final shift of the radial velocity vectors to align with the center of mass of the collisional system (the origin) vb_frag(:,1:nfrag) = vmag_to_vb(v_r_mag(1:nfrag), v_r_unit(:,1:nfrag), v_t_mag(1:nfrag), v_t_unit(:,1:nfrag), m_frag(1:nfrag), vcom(:)) - do i = 1, nfrag + do concurrent (i = 1:nfrag) v_frag(:,i) = vb_frag(:,i) - vcom(:) end do call add_fragments_to_tmpsys() @@ -705,7 +709,7 @@ subroutine set_fragment_tan_vel(lerr) ke_frag_orbit = 0.5_DP * sum(kefrag(:)) ke_radial = ke_frag_budget - ke_frag_orbit - ke_frag_spin call calculate_fragment_ang_mtm() - write(*,*) '3: L_remainder : ',norm2(L_frag_budget(:) - L_frag_tot(:)) + L_remainder(:) = L_frag_budget(:) - L_frag_tot(:) ! If we are over the energy budget, flag this as a failure so we can try again lerr = (ke_radial < 0.0_DP) @@ -715,6 +719,7 @@ subroutine set_fragment_tan_vel(lerr) write(*,*) 'ke_frag_spin : ',ke_frag_spin write(*,*) 'ke_tangential : ',ke_frag_orbit write(*,*) 'ke_remainder : ',ke_radial + write(*,*) '|L_remainder| : ',.mag.L_remainder(:) return end subroutine set_fragment_tan_vel @@ -743,7 +748,7 @@ function tangential_objective_function(v_t_mag_input, lerr) result(fval) kearr = 0.0_DP do concurrent(i = 1:nfrag) - kearr(i) = m_frag(i) * dot_product(v_shift(:, i) - vcom(:), v_shift(:, i) - vcom(:)) + kearr(i) = m_frag(i) * dot_product(v_shift(:, i), v_shift(:, i)) end do keo = 0.5_DP * sum(kearr(:)) fval = keo @@ -770,9 +775,7 @@ function solve_fragment_tan_vel(lerr, v_t_mag_input) result(v_t_mag_output) real(DP), dimension(2 * NDIM) :: b ! RHS of linear equation used to solve for momentum constraint in Gauss elimination code real(DP), dimension(NDIM) :: L_lin_others, L_orb_others, L, vtmp - v_frag(:,:) = 0.0_DP lerr = .false. - ! We have 6 constraint equations (2 vector constraints in 3 dimensions each) ! The first 3 are that the linear momentum of the fragments is zero with respect to the collisional barycenter ! The second 3 are that the sum of the angular momentum of the fragments is conserved from the pre-impact state @@ -786,12 +789,12 @@ function solve_fragment_tan_vel(lerr, v_t_mag_input) result(v_t_mag_output) else if (present(v_t_mag_input)) then vtmp(:) = v_t_mag_input(i - 6) * v_t_unit(:, i) L_lin_others(:) = L_lin_others(:) + m_frag(i) * vtmp(:) - L(:) = m_frag(i) * x_frag(:, i) .cross. vtmp(:) + L(:) = m_frag(i) * (x_frag(:, i) .cross. vtmp(:)) L_orb_others(:) = L_orb_others(:) + L(:) end if end do b(1:3) = -L_lin_others(:) - b(4:6) = L_frag_orb(:) - L_orb_others(:) + b(4:6) = L_frag_budget(:) - L_frag_spin(:) - L_orb_others(:) allocate(v_t_mag_output(nfrag)) v_t_mag_output(1:6) = util_solve_linear_system(A, b, 6, lerr) if (present(v_t_mag_input)) v_t_mag_output(7:nfrag) = v_t_mag_input(:) @@ -846,7 +849,7 @@ subroutine set_fragment_radial_velocities(lerr) call add_fragments_to_tmpsys() do concurrent(i = 1:nfrag) - kearr(i) = m_frag(i) * dot_product(v_frag(:, i), v_frag(:, i)) + kearr(i) = m_frag(i) * dot_product(vb_frag(:, i), vb_frag(:, i)) kespinarr(i) = m_frag(i) * Ip_frag(3, i) * rad_frag(i)**2 * dot_product(rot_frag(:,i), rot_frag(:,i)) end do ke_frag_orbit = 0.5_DP * sum(kearr(:)) @@ -882,7 +885,7 @@ function radial_objective_function(v_r_mag_input) result(fval) allocate(v_shift, mold=vb_frag) v_shift(:,:) = vmag_to_vb(v_r_mag_input, v_r_unit, v_t_mag, v_t_unit, m_frag, vcom) do concurrent(i = 1:nfrag) - kearr(i) = m_frag(i) * (Ip_frag(3, i) * rad_frag(i)**2 * dot_product(rot_frag(:, i), rot_frag(:, i)) + dot_product(v_shift(:, i) - vcom(:), v_shift(:, i) - vcom(:))) + kearr(i) = m_frag(i) * (Ip_frag(3, i) * rad_frag(i)**2 * dot_product(rot_frag(:, i), rot_frag(:, i)) + dot_product(v_shift(:, i), v_shift(:, i))) end do keo = 2 * ke_frag_budget - sum(kearr(:)) ! The following ensures that fval = 0 is a local minimum, which is what the BFGS method is searching for From f9038c04868d6919a9ea2d161276c4534038653c Mon Sep 17 00:00:00 2001 From: David A Minton Date: Fri, 13 Aug 2021 16:49:07 -0400 Subject: [PATCH 16/36] Tweaks to fragmentation parameters aimed at improving stability --- src/fragmentation/fragmentation.f90 | 25 ++++++++++--------------- src/util/util_minimize_bfgs.f90 | 2 +- 2 files changed, 11 insertions(+), 16 deletions(-) diff --git a/src/fragmentation/fragmentation.f90 b/src/fragmentation/fragmentation.f90 index 56fb4f2ad..7e58a07c0 100644 --- a/src/fragmentation/fragmentation.f90 +++ b/src/fragmentation/fragmentation.f90 @@ -44,7 +44,7 @@ module subroutine fragmentation_initialize(system, param, family, x, v, L_spin, real(DP), parameter :: Ltol = 10 * epsilon(1.0_DP) real(DP), parameter :: Etol = 1e-6_DP integer(I4B), parameter :: MAXTRY = 3000 - integer(I4B), parameter :: TANTRY = 100 + integer(I4B), parameter :: TANTRY = 3 logical, dimension(size(IEEE_ALL)) :: fpe_halting_modes, fpe_quiet_modes class(swiftest_nbody_system), allocatable :: tmpsys class(swiftest_parameters), allocatable :: tmpparam @@ -59,7 +59,7 @@ module subroutine fragmentation_initialize(system, param, family, x, v, L_spin, fpe_quiet_modes(:) = .false. call ieee_set_halting_mode(IEEE_ALL,fpe_quiet_modes) - f_spin = 0.1_DP + f_spin = 0.05_DP allocate(x_frag, source=xb_frag) allocate(v_frag, source=vb_frag) @@ -105,7 +105,7 @@ module subroutine fragmentation_initialize(system, param, family, x, v, L_spin, ! Calculate the initial energy of the system without the collisional family call calculate_system_energy(linclude_fragments=.false.) - r_max_start = norm2(x(:,2) - x(:,1)) + r_max_start = 2 * norm2(x(:,2) - x(:,1)) try = 1 lfailure = .false. ke_avg_deficit = 0.0_DP @@ -115,11 +115,7 @@ module subroutine fragmentation_initialize(system, param, family, x, v, L_spin, ke_avg_deficit = 0.0_DP subtry = 1 do - ! Initialize the fragments with 0 relative velocity and spin so we can divide up the balance between the tangential, radial, and spin components while conserving momentum - !do concurrent(ii = 1:nfrag) - ! xb_frag(:, ii) = xcom(:) - ! vb_frag(:, ii) = vcom(:) - !end do + ! Initialize the fragments with 0 velocity and spin so we can divide up the balance between the tangential, radial, and spin components while conserving momentum xb_frag(:,:) = 0.0_DP vb_frag(:,:) = 0.0_DP x_frag(:,:) = 0.0_DP @@ -620,7 +616,7 @@ subroutine set_fragment_tan_vel(lerr) ! Internals integer(I4B) :: i real(DP), parameter :: TOL_MIN = 1e-1_DP ! This doesn't have to be very accurate, as we really just want a tangential velocity distribution with less kinetic energy than our initial guess. - real(DP), parameter :: TOL_INIT = 1e-12_DP + real(DP), parameter :: TOL_INIT = 1e-14_DP real(DP) :: tol real(DP), dimension(:), allocatable :: v_t_initial real(DP), dimension(nfrag) :: kefrag @@ -689,7 +685,7 @@ subroutine set_fragment_tan_vel(lerr) ! Now that the KE-minimized values of the i>6 fragments are found, calculate the momentum-conserving solution for tangential velociteis v_t_initial(7:nfrag) = v_t_mag(7:nfrag) if (.not.lerr) exit - tol = tol * 2 ! Keep increasing the tolerance until we converge on a solution + tol = tol * 2_DP ! Keep increasing the tolerance until we converge on a solution end do v_t_mag(1:nfrag) = solve_fragment_tan_vel(v_t_mag_input=v_t_initial(7:nfrag), lerr=lerr) @@ -703,8 +699,7 @@ subroutine set_fragment_tan_vel(lerr) ! Now do a kinetic energy budget check to make sure we are still within the budget. kefrag = 0.0_DP do concurrent(i = 1:nfrag) - v_frag(:, i) = vb_frag(:, i) - vcom(:) - kefrag(i) = m_frag(i) * dot_product(v_frag(:, i), v_frag(:, i)) + kefrag(i) = m_frag(i) * dot_product(vb_frag(:, i), vb_frag(:, i)) end do ke_frag_orbit = 0.5_DP * sum(kefrag(:)) ke_radial = ke_frag_budget - ke_frag_orbit - ke_frag_spin @@ -715,11 +710,11 @@ subroutine set_fragment_tan_vel(lerr) lerr = (ke_radial < 0.0_DP) write(*,*) 'Tangential' write(*,*) 'Failure? ',lerr + write(*,*) '|L_remainder| : ',.mag.L_remainder(:) write(*,*) 'ke_frag_budget: ',ke_frag_budget write(*,*) 'ke_frag_spin : ',ke_frag_spin write(*,*) 'ke_tangential : ',ke_frag_orbit write(*,*) 'ke_remainder : ',ke_radial - write(*,*) '|L_remainder| : ',.mag.L_remainder(:) return end subroutine set_fragment_tan_vel @@ -812,8 +807,8 @@ subroutine set_fragment_radial_velocities(lerr) ! Arguments logical, intent(out) :: lerr ! Internals - real(DP), parameter :: TOL_MIN = 1e-8_DP ! This needs to be more accurate than the tangential step, as we are trying to minimize the total residual energy - real(DP), parameter :: TOL_INIT = 1e-14_DP + real(DP), parameter :: TOL_MIN = Etol ! This needs to be more accurate than the tangential step, as we are trying to minimize the total residual energy + real(DP), parameter :: TOL_INIT = 1e-12_DP real(DP) :: tol integer(I4B) :: i, j real(DP), dimension(:), allocatable :: v_r_initial, v_r_sigma diff --git a/src/util/util_minimize_bfgs.f90 b/src/util/util_minimize_bfgs.f90 index 8d8ce6b1a..9a0e4e12e 100644 --- a/src/util/util_minimize_bfgs.f90 +++ b/src/util/util_minimize_bfgs.f90 @@ -28,7 +28,7 @@ module function util_minimize_bfgs(f, N, x0, eps, lerr) result(x1) real(DP), dimension(:), allocatable :: x1 ! Internals integer(I4B) :: i, j, k, l, conv, num - integer(I4B), parameter :: MAXLOOP = 10 !! Maximum number of loops before method is determined to have failed + integer(I4B), parameter :: MAXLOOP = 100 !! Maximum number of loops before method is determined to have failed real(DP), parameter :: graddelta = 1e-4_DP !! Delta x for gradient calculations real(DP), dimension(N) :: S !! Direction vectors real(DP), dimension(N,N) :: H !! Approximated inverse Hessian matrix From de56e11348c47ff7d5f726af0c8dbb1cffbe20d1 Mon Sep 17 00:00:00 2001 From: David A Minton Date: Fri, 13 Aug 2021 17:04:41 -0400 Subject: [PATCH 17/36] Got the energy conservation working, but broke angular momentum conservation :-( --- src/fragmentation/fragmentation.f90 | 8 ++++++-- 1 file changed, 6 insertions(+), 2 deletions(-) diff --git a/src/fragmentation/fragmentation.f90 b/src/fragmentation/fragmentation.f90 index 7e58a07c0..5e1e93fbe 100644 --- a/src/fragmentation/fragmentation.f90 +++ b/src/fragmentation/fragmentation.f90 @@ -127,7 +127,11 @@ module subroutine fragmentation_initialize(system, param, family, x, v, L_spin, call calculate_system_energy(linclude_fragments=.true.) ke_frag_budget = -dEtot - Qloss - L_frag_budget(:) = Ltot_after(:) - Ltot_before(:) + mtot * (xcom(:) .cross. vcom(:)) + L_frag_budget(:) = Ltot_after(:) - Ltot_before(:) + do ii = 1, nfrag + L_frag_budget(:) = L_frag_budget(:) + m_frag(ii) * (xb_frag(:, ii) .cross. vcom(:)) + end do + call define_coordinate_system() call set_fragment_tan_vel(lfailure) ke_avg_deficit = ke_avg_deficit - ke_radial @@ -153,7 +157,7 @@ module subroutine fragmentation_initialize(system, param, family, x, v, L_spin, lfailure = .true. else if (abs(dLmag) / Lmag_before > Ltol) then write(*,*) 'Failed due to high angular momentum error: ', dLmag / Lmag_before - lfailure = .true. + !lfailure = .true. end if end if end if From ab16099e4d23cee95e4b7ebb3ab5dd6d356d5d84 Mon Sep 17 00:00:00 2001 From: David A Minton Date: Fri, 13 Aug 2021 17:27:36 -0400 Subject: [PATCH 18/36] Still haven't tracked down the angular momentum error, but commiting what I've got so far --- src/fragmentation/fragmentation.f90 | 7 ++++--- 1 file changed, 4 insertions(+), 3 deletions(-) diff --git a/src/fragmentation/fragmentation.f90 b/src/fragmentation/fragmentation.f90 index 5e1e93fbe..3c7a7aa4a 100644 --- a/src/fragmentation/fragmentation.f90 +++ b/src/fragmentation/fragmentation.f90 @@ -105,7 +105,7 @@ module subroutine fragmentation_initialize(system, param, family, x, v, L_spin, ! Calculate the initial energy of the system without the collisional family call calculate_system_energy(linclude_fragments=.false.) - r_max_start = 2 * norm2(x(:,2) - x(:,1)) + r_max_start = 10 * norm2(x(:,2) - x(:,1)) try = 1 lfailure = .false. ke_avg_deficit = 0.0_DP @@ -145,6 +145,7 @@ module subroutine fragmentation_initialize(system, param, family, x, v, L_spin, if (.not.lfailure) then call calculate_system_energy(linclude_fragments=.true.) ke_radial = -dEtot - Qloss + write(*,*) 'Pre-radial dL/L0: ', abs(dLmag) / Lmag_before call set_fragment_radial_velocities(lfailure) ! if (lfailure) write(*,*) 'Failed to find radial velocities' if (.not.lfailure) then @@ -157,7 +158,7 @@ module subroutine fragmentation_initialize(system, param, family, x, v, L_spin, lfailure = .true. else if (abs(dLmag) / Lmag_before > Ltol) then write(*,*) 'Failed due to high angular momentum error: ', dLmag / Lmag_before - !lfailure = .true. + lfailure = .true. end if end if end if @@ -503,7 +504,7 @@ subroutine calculate_fragment_ang_mtm() L_frag_spin(:) = 0.0_DP do i = 1, nfrag - L_frag_orb(:) = L_frag_orb(:) + m_frag(i) * (x_frag(:, i) .cross. v_frag(:, i)) + L_frag_orb(:) = L_frag_orb(:) + m_frag(i) * (x_frag(:, i) .cross. v_frag(:, i)) L_frag_spin(:) = L_frag_spin(:) + m_frag(i) * rad_frag(i)**2 * Ip_frag(:, i) * rot_frag(:, i) end do From 7c3a797f51805cd1677bc9f4fecf2fb9fa8e243b Mon Sep 17 00:00:00 2001 From: David A Minton Date: Mon, 16 Aug 2021 10:53:19 -0400 Subject: [PATCH 19/36] Added safety parens to .cross. operations. Changed scaling in fragmentation_initialize back to one based on kinetic energy. --- src/fragmentation/fragmentation.f90 | 49 +++++--- src/symba/symba_collision.f90 | 171 ++++++++++++++------------ src/symba/symba_discard.f90 | 12 +- src/tides/tides_getacch_pl.f90 | 4 +- src/util/util_get_energy_momentum.f90 | 37 +++--- 5 files changed, 145 insertions(+), 128 deletions(-) diff --git a/src/fragmentation/fragmentation.f90 b/src/fragmentation/fragmentation.f90 index 3c7a7aa4a..0dd7ddd64 100644 --- a/src/fragmentation/fragmentation.f90 +++ b/src/fragmentation/fragmentation.f90 @@ -34,7 +34,7 @@ module subroutine fragmentation_initialize(system, param, family, x, v, L_spin, real(DP), dimension(NDIM) :: Ltot_after real(DP) :: Etot_before, ke_orbit_before, ke_spin_before, pe_before, Lmag_before real(DP) :: Etot_after, ke_orbit_after, ke_spin_after, pe_after, Lmag_after, dEtot, dLmag - real(DP), dimension(NDIM) :: L_frag_tot, L_frag_orb, L_frag_spin, L_frag_budget + real(DP), dimension(NDIM) :: L_frag_tot, L_frag_orb, L_frag_spin, L_frag_budget, Lorbit_before, Lorbit_after, Lspin_before, Lspin_after real(DP) :: ke_frag_budget, ke_frag_orbit, ke_radial, ke_frag_spin, ke_avg_deficit, ke_avg_deficit_old real(DP), dimension(NDIM) :: x_col_unit, y_col_unit, z_col_unit character(len=*), parameter :: fmtlabel = "(A14,10(ES11.4,1X,:))" @@ -125,12 +125,12 @@ module subroutine fragmentation_initialize(system, param, family, x, v, L_spin, v_r_mag(:) = 0.0_DP call set_fragment_position_vectors() + do concurrent (ii = 1:nfrag) + vb_frag(:, ii) = vcom(:) + end do + call calculate_system_energy(linclude_fragments=.true.) ke_frag_budget = -dEtot - Qloss - L_frag_budget(:) = Ltot_after(:) - Ltot_before(:) - do ii = 1, nfrag - L_frag_budget(:) = L_frag_budget(:) + m_frag(ii) * (xb_frag(:, ii) .cross. vcom(:)) - end do call define_coordinate_system() call set_fragment_tan_vel(lfailure) @@ -168,11 +168,11 @@ module subroutine fragmentation_initialize(system, param, family, x, v, L_spin, try = try + 1 end do call restore_scale_factors() - call calculate_system_energy(linclude_fragments=.true.) write(*, "(' -------------------------------------------------------------------------------------')") write(*, "(' Final diagnostic')") write(*, "(' -------------------------------------------------------------------------------------')") + call calculate_system_energy(linclude_fragments=.true.) if (lfailure) then write(*,*) "symba_frag_pos failed after: ",try," tries" do ii = 1, nfrag @@ -210,12 +210,12 @@ subroutine set_scale_factors() vcom(:) = (mass(1) * v(:,1) + mass(2) * v(:,2)) / mtot ! Set scale factors + Escale = 0.5_DP * (mass(1) * dot_product(v(:,1), v(:,1)) + mass(2) * dot_product(v(:,2), v(:,2))) dscale = sum(radius(:)) - mscale = mtot - vscale = sqrt(0.5_DP) * (norm2(v(:,1)) + norm2(v(:,2))) + mscale = mtot + vscale = sqrt(Escale / mscale) tscale = dscale / vscale Lscale = mscale * dscale * vscale - Escale = mscale * vscale**2 xcom(:) = xcom(:) / dscale vcom(:) = vcom(:) / vscale @@ -471,6 +471,8 @@ subroutine calculate_system_energy(linclude_fragments) ! Calculate the current fragment energy and momentum balances if (linclude_fragments) then + Lorbit_after(:) = tmpsys%Lorbit + Lspin_after(:) = tmpsys%Lspin Ltot_after(:) = tmpsys%Lorbit(:) + tmpsys%Lspin(:) Lmag_after = norm2(Ltot_after(:)) ke_orbit_after = tmpsys%ke_orbit @@ -480,6 +482,8 @@ subroutine calculate_system_energy(linclude_fragments) dEtot = Etot_after - Etot_before dLmag = norm2(Ltot_after(:) - Ltot_before(:)) else + Lorbit_before(:) = tmpsys%Lorbit + Lspin_before(:) = tmpsys%Lspin Ltot_before(:) = tmpsys%Lorbit(:) + tmpsys%Lspin(:) Lmag_before = norm2(Ltot_before(:)) ke_orbit_before = tmpsys%ke_orbit @@ -504,7 +508,7 @@ subroutine calculate_fragment_ang_mtm() L_frag_spin(:) = 0.0_DP do i = 1, nfrag - L_frag_orb(:) = L_frag_orb(:) + m_frag(i) * (x_frag(:, i) .cross. v_frag(:, i)) + L_frag_orb(:) = L_frag_orb(:) + m_frag(i) * (x_frag(:, i) .cross. v_frag(:, i)) L_frag_spin(:) = L_frag_spin(:) + m_frag(i) * rad_frag(i)**2 * Ip_frag(:, i) * rot_frag(:, i) end do @@ -631,6 +635,22 @@ subroutine set_fragment_tan_vel(lerr) lerr = .false. + ! write(*,*) '***************************************************' + ! write(*,*) 'Original dis : ',norm2(x(:,2) - x(:,1)) + ! write(*,*) 'r_max : ',r_max + ! write(*,*) 'f_spin : ',f_spin + ! write(*,*) '***************************************************' + ! write(*,*) 'Energy balance so far: ' + ! write(*,*) 'ke_frag_budget : ',ke_frag_budget + ! write(*,*) 'ke_orbit_before: ',ke_orbit_before + ! write(*,*) 'ke_orbit_after : ',ke_orbit_after + ! write(*,*) 'ke_spin_before : ',ke_spin_before + ! write(*,*) 'ke_spin_after : ',ke_spin_after + ! write(*,*) 'pe_before : ',pe_before + ! write(*,*) 'pe_after : ',pe_after + ! write(*,*) 'Qloss : ',Qloss + ! write(*,*) '***************************************************' + if (ke_frag_budget < 0.0_DP) then write(*,*) 'Negative ke_frag_budget: ',ke_frag_budget r_max_start = r_max_start / 2 @@ -715,7 +735,7 @@ subroutine set_fragment_tan_vel(lerr) lerr = (ke_radial < 0.0_DP) write(*,*) 'Tangential' write(*,*) 'Failure? ',lerr - write(*,*) '|L_remainder| : ',.mag.L_remainder(:) + write(*,*) '|L_remainder| : ',.mag.L_remainder(:) / Lmag_before write(*,*) 'ke_frag_budget: ',ke_frag_budget write(*,*) 'ke_frag_spin : ',ke_frag_spin write(*,*) 'ke_tangential : ',ke_frag_orbit @@ -784,17 +804,16 @@ function solve_fragment_tan_vel(lerr, v_t_mag_input) result(v_t_mag_output) do i = 1, nfrag if (i <= 2 * NDIM) then ! The tangential velocities of the first set of bodies will be the unknowns we will solve for to satisfy the constraints A(1:3, i) = m_frag(i) * v_t_unit(:, i) - L(:) = v_r_unit(:, i) .cross. v_t_unit(:, i) - A(4:6, i) = m_frag(i) * rmag(i) * L(:) + A(4:6, i) = m_frag(i) * rmag(i) * (v_r_unit(:, i) .cross. v_t_unit(:, i)) else if (present(v_t_mag_input)) then vtmp(:) = v_t_mag_input(i - 6) * v_t_unit(:, i) L_lin_others(:) = L_lin_others(:) + m_frag(i) * vtmp(:) - L(:) = m_frag(i) * (x_frag(:, i) .cross. vtmp(:)) + L(:) = m_frag(i) * (x_frag(:, i) .cross. vtmp(:)) L_orb_others(:) = L_orb_others(:) + L(:) end if end do b(1:3) = -L_lin_others(:) - b(4:6) = L_frag_budget(:) - L_frag_spin(:) - L_orb_others(:) + b(4:6) = L_frag_orb(:) - L_orb_others(:) allocate(v_t_mag_output(nfrag)) v_t_mag_output(1:6) = util_solve_linear_system(A, b, 6, lerr) if (present(v_t_mag_input)) v_t_mag_output(7:nfrag) = v_t_mag_input(:) diff --git a/src/symba/symba_collision.f90 b/src/symba/symba_collision.f90 index 0e6c69440..80a9550bb 100644 --- a/src/symba/symba_collision.f90 +++ b/src/symba/symba_collision.f90 @@ -454,11 +454,11 @@ module function symba_collision_check_encounter(self, system, param, t, dt, irec do k = 1, nenc if (lcollision(k)) self%status(k) = COLLISION self%t(k) = t - self%x1(:,k) = pl%xh(:,ind1(k)) - self%v1(:,k) = pl%vb(:,ind1(k)) - system%cb%vb(:) + self%x1(:,k) = pl%xh(:,ind1(k)) + system%cb%xb(:) + self%v1(:,k) = pl%vb(:,ind1(k)) if (isplpl) then - self%x2(:,k) = pl%xh(:,ind2(k)) - self%v2(:,k) = pl%vb(:,ind2(k)) - system%cb%vb(:) + self%x2(:,k) = pl%xh(:,ind2(k)) + system%cb%xb(:) + self%v2(:,k) = pl%vb(:,ind2(k)) if (lcollision(k)) then ! Check to see if either of these bodies has been involved with a collision before, and if so, make this a collisional family if (pl%lcollision(ind1(k)) .or. pl%lcollision(ind2(k))) call pl%make_family([ind1(k),ind2(k)]) @@ -469,8 +469,8 @@ module function symba_collision_check_encounter(self, system, param, t, dt, irec pl%status([ind1(k), ind2(k)]) = COLLISION end if else - self%x2(:,k) = tp%xh(:,ind2(k)) - self%v2(:,k) = tp%vb(:,ind2(k)) - system%cb%vb(:) + self%x2(:,k) = tp%xh(:,ind2(k)) + system%cb%xb(:) + self%v2(:,k) = tp%vb(:,ind2(k)) if (lcollision(k)) then tp%status(ind2(k)) = DISCARDED_PLR tp%ldiscard(ind2(k)) = .true. @@ -539,7 +539,7 @@ pure elemental function symba_collision_check_one(xr, yr, zr, vxr, vyr, vzr, Gmt end function symba_collision_check_one - function symba_collision_consolidate_familes(pl, param, idx_parent, family, x, v, mass, radius, L_spin, Ip) result(lflag) + function symba_collision_consolidate_familes(pl, cb, param, idx_parent, family, x, v, mass, radius, L_spin, Ip) result(lflag) !! author: David A. Minton !! !! Loops through the pl-pl collision list and groups families together by index. Outputs the indices of all family members, @@ -547,6 +547,7 @@ function symba_collision_consolidate_familes(pl, param, idx_parent, family, x, v implicit none ! Arguments class(symba_pl), intent(inout) :: pl !! SyMBA massive body object + class(symba_cb), intent(inout) :: cb !! SyMBA central body object class(symba_parameters), intent(in) :: param !! Current run configuration parameters with SyMBA additions integer(I4B), dimension(2), intent(inout) :: idx_parent !! Index of the two bodies considered the "parents" of the collision integer(I4B), dimension(:), allocatable, intent(out) :: family !! List of indices of all bodies inovlved in the collision @@ -611,7 +612,7 @@ function symba_collision_consolidate_familes(pl, param, idx_parent, family, x, v ! Find the barycenter of each body along with its children, if it has any do j = 1, 2 - x(:, j) = pl%xh(:, idx_parent(j)) + x(:, j) = pl%xh(:, idx_parent(j)) + cb%xb(:) v(:, j) = pl%vb(:, idx_parent(j)) ! Assume principal axis rotation about axis corresponding to highest moment of inertia (3rd Ip) if (param%lrotation) then @@ -624,7 +625,7 @@ function symba_collision_consolidate_familes(pl, param, idx_parent, family, x, v idx_child = parent_child_index_array(j)%idx(i + 1) if (.not. pl%lcollision(idx_child)) cycle mchild = pl%mass(idx_child) - xchild(:) = pl%xh(:, idx_child) + xchild(:) = pl%xh(:, idx_child) + cb%xb(:) vchild(:) = pl%vb(:, idx_child) volchild = (4.0_DP / 3.0_DP) * PI * pl%radius(idx_child)**3 volume(j) = volume(j) + volchild @@ -944,68 +945,71 @@ module subroutine symba_collision_resolve_fragmentations(self, system, param) integer(I4B), parameter :: NRES = 3 !! Number of collisional product results real(DP), dimension(NRES) :: mass_res - associate(plpl_collisions => self, ncollisions => self%nenc, idx1 => self%index1, idx2 => self%index2, cb => system%cb) + associate(plpl_collisions => self, ncollisions => self%nenc, idx1 => self%index1, idx2 => self%index2) select type(pl => system%pl) class is (symba_pl) - do i = 1, ncollisions - idx_parent(1) = pl%kin(idx1(i))%parent - idx_parent(2) = pl%kin(idx2(i))%parent - lgoodcollision = symba_collision_consolidate_familes(pl, param, idx_parent, family, x, v, mass, radius, L_spin, Ip) - if (.not. lgoodcollision) cycle - if (any(pl%status(idx_parent(:)) /= COLLISION)) cycle ! One of these two bodies has already been resolved - - ! Convert from DH to barycentric - x(:,1) = x(:,1) + cb%xb(:) - x(:,2) = x(:,2) + cb%xb(:) - - ! Convert all quantities to SI units and determine which of the pair is the projectile vs. target before sending them - ! to symba_regime - if (mass(1) > mass(2)) then - jtarg = 1 - jproj = 2 - else - jtarg = 2 - jproj = 1 - end if - mass_si(:) = (mass(:)) * param%MU2KG !! The collective mass of the parent and its children - radius_si(:) = radius(:) * param%DU2M !! The collective radius of the parent and its children - x1_si(:) = plpl_collisions%x1(:,i) * param%DU2M !! The position of the parent from inside the step (at collision) - v1_si(:) = plpl_collisions%v1(:,i) * param%DU2M / param%TU2S !! The velocity of the parent from inside the step (at collision) - x2_si(:) = plpl_collisions%x2(:,i) * param%DU2M !! The position of the parent from inside the step (at collision) - v2_si(:) = plpl_collisions%v2(:,i) * param%DU2M / param%TU2S !! The velocity of the parent from inside the step (at collision) - density_si(:) = mass_si(:) / (4.0_DP / 3._DP * PI * radius_si(:)**3) !! The collective density of the parent and its children - Mcb_si = cb%mass * param%MU2KG - mtiny_si = (param%GMTINY / param%GU) * param%MU2KG + select type (cb => system%cb) + class is (symba_cb) + do i = 1, ncollisions + idx_parent(1) = pl%kin(idx1(i))%parent + idx_parent(2) = pl%kin(idx2(i))%parent + lgoodcollision = symba_collision_consolidate_familes(pl, cb, param, idx_parent, family, x, v, mass, radius, L_spin, Ip) + if (.not. lgoodcollision) cycle + if (any(pl%status(idx_parent(:)) /= COLLISION)) cycle ! One of these two bodies has already been resolved + + ! Convert from DH to barycentric + x(:,1) = x(:,1) + cb%xb(:) + x(:,2) = x(:,2) + cb%xb(:) + + ! Convert all quantities to SI units and determine which of the pair is the projectile vs. target before sending them + ! to symba_regime + if (mass(1) > mass(2)) then + jtarg = 1 + jproj = 2 + else + jtarg = 2 + jproj = 1 + end if + mass_si(:) = (mass(:)) * param%MU2KG !! The collective mass of the parent and its children + radius_si(:) = radius(:) * param%DU2M !! The collective radius of the parent and its children + x1_si(:) = plpl_collisions%x1(:,i) * param%DU2M !! The position of the parent from inside the step (at collision) + v1_si(:) = plpl_collisions%v1(:,i) * param%DU2M / param%TU2S !! The velocity of the parent from inside the step (at collision) + x2_si(:) = plpl_collisions%x2(:,i) * param%DU2M !! The position of the parent from inside the step (at collision) + v2_si(:) = plpl_collisions%v2(:,i) * param%DU2M / param%TU2S !! The velocity of the parent from inside the step (at collision) + density_si(:) = mass_si(:) / (4.0_DP / 3._DP * PI * radius_si(:)**3) !! The collective density of the parent and its children + Mcb_si = cb%mass * param%MU2KG + mtiny_si = (param%GMTINY / param%GU) * param%MU2KG + + mass_res(:) = 0.0_DP - mass_res(:) = 0.0_DP - - mtot = sum(mass_si(:)) - dentot = sum(mass_si(:) * density_si(:)) / mtot - - !! Use the positions and velocities of the parents from indside the step (at collision) to calculate the collisional regime - call fragmentation_regime(Mcb_si, mass_si(jtarg), mass_si(jproj), radius_si(jtarg), radius_si(jproj), x1_si(:), x2_si(:),& - v1_si(:), v2_si(:), density_si(jtarg), density_si(jproj), regime, mlr, mslr, mtiny_si, Qloss) - - mass_res(1) = min(max(mlr, 0.0_DP), mtot) - mass_res(2) = min(max(mslr, 0.0_DP), mtot) - mass_res(3) = min(max(mtot - mlr - mslr, 0.0_DP), mtot) - mass_res(:) = (mass_res(:) / param%MU2KG) - Qloss = Qloss * (param%TU2S / param%DU2M)**2 / param%MU2KG - - select case (regime) - case (COLLRESOLVE_REGIME_DISRUPTION) - status = symba_collision_casedisruption(system, param, family, x, v, mass, radius, L_spin, Ip, mass_res, Qloss) - case (COLLRESOLVE_REGIME_SUPERCATASTROPHIC) - status = symba_collision_casesupercatastrophic(system, param, family, x, v, mass, radius, L_spin, Ip, mass_res, Qloss) - case (COLLRESOLVE_REGIME_HIT_AND_RUN) - status = symba_collision_casehitandrun(system, param, family, x, v, mass, radius, L_spin, Ip, mass_res, Qloss) - case (COLLRESOLVE_REGIME_MERGE, COLLRESOLVE_REGIME_GRAZE_AND_MERGE) - status = symba_collision_casemerge(system, param, family, x, v, mass, radius, L_spin, Ip) - case default - write(*,*) "Error in symba_collision, unrecognized collision regime" - call util_exit(FAILURE) - end select - end do + mtot = sum(mass_si(:)) + dentot = sum(mass_si(:) * density_si(:)) / mtot + + !! Use the positions and velocities of the parents from indside the step (at collision) to calculate the collisional regime + call fragmentation_regime(Mcb_si, mass_si(jtarg), mass_si(jproj), radius_si(jtarg), radius_si(jproj), x1_si(:), x2_si(:),& + v1_si(:), v2_si(:), density_si(jtarg), density_si(jproj), regime, mlr, mslr, mtiny_si, Qloss) + + mass_res(1) = min(max(mlr, 0.0_DP), mtot) + mass_res(2) = min(max(mslr, 0.0_DP), mtot) + mass_res(3) = min(max(mtot - mlr - mslr, 0.0_DP), mtot) + mass_res(:) = (mass_res(:) / param%MU2KG) + Qloss = Qloss * (param%TU2S / param%DU2M)**2 / param%MU2KG + + select case (regime) + case (COLLRESOLVE_REGIME_DISRUPTION) + status = symba_collision_casedisruption(system, param, family, x, v, mass, radius, L_spin, Ip, mass_res, Qloss) + case (COLLRESOLVE_REGIME_SUPERCATASTROPHIC) + status = symba_collision_casesupercatastrophic(system, param, family, x, v, mass, radius, L_spin, Ip, mass_res, Qloss) + case (COLLRESOLVE_REGIME_HIT_AND_RUN) + status = symba_collision_casehitandrun(system, param, family, x, v, mass, radius, L_spin, Ip, mass_res, Qloss) + case (COLLRESOLVE_REGIME_MERGE, COLLRESOLVE_REGIME_GRAZE_AND_MERGE) + status = symba_collision_casemerge(system, param, family, x, v, mass, radius, L_spin, Ip) + case default + write(*,*) "Error in symba_collision, unrecognized collision regime" + call util_exit(FAILURE) + end select + end do + end select end select end associate @@ -1031,22 +1035,25 @@ module subroutine symba_collision_resolve_mergers(self, system, param) logical :: lgoodcollision integer(I4B) :: i, status - associate(plpl_collisions => self, ncollisions => self%nenc, idx1 => self%index1, idx2 => self%index2, cb => system%cb) + associate(plpl_collisions => self, ncollisions => self%nenc, idx1 => self%index1, idx2 => self%index2) select type(pl => system%pl) class is (symba_pl) - do i = 1, ncollisions - idx_parent(1) = pl%kin(idx1(i))%parent - idx_parent(2) = pl%kin(idx2(i))%parent - lgoodcollision = symba_collision_consolidate_familes(pl, param, idx_parent, family, x, v, mass, radius, L_spin, Ip) - if (.not. lgoodcollision) cycle - if (any(pl%status(idx_parent(:)) /= COLLISION)) cycle ! One of these two bodies has already been resolved - - ! Convert from DH to barycentric - x(:,1) = x(:,1) + cb%xb(:) - x(:,2) = x(:,2) + cb%xb(:) - - status = symba_collision_casemerge(system, param, family, x, v, mass, radius, L_spin, Ip) - end do + select type(cb => system%cb) + class is (symba_cb) + do i = 1, ncollisions + idx_parent(1) = pl%kin(idx1(i))%parent + idx_parent(2) = pl%kin(idx2(i))%parent + lgoodcollision = symba_collision_consolidate_familes(pl, cb, param, idx_parent, family, x, v, mass, radius, L_spin, Ip) + if (.not. lgoodcollision) cycle + if (any(pl%status(idx_parent(:)) /= COLLISION)) cycle ! One of these two bodies has already been resolved + + ! Convert from DH to barycentric + x(:,1) = x(:,1) + cb%xb(:) + x(:,2) = x(:,2) + cb%xb(:) + + status = symba_collision_casemerge(system, param, family, x, v, mass, radius, L_spin, Ip) + end do + end select end select end associate diff --git a/src/symba/symba_discard.f90 b/src/symba/symba_discard.f90 index 70c0898a5..f6f7c0e6b 100644 --- a/src/symba/symba_discard.f90 +++ b/src/symba/symba_discard.f90 @@ -97,10 +97,10 @@ subroutine symba_discard_conserve_mtm(pl, system, param, ipl, lescape_body) Ltot(:) = 0.0_DP do i = 1, pl%nbody - Lpl(:) = pL%mass(i) * pl%xb(:,i) .cross. pl%vb(:, i) + Lpl(:) = pL%mass(i) * (pl%xb(:,i) .cross. pl%vb(:, i)) Ltot(:) = Ltot(:) + Lpl(:) end do - Ltot(:) = Ltot(:) + cb%mass * cb%xb(:) .cross. cb%vb(:) + Ltot(:) = Ltot(:) + cb%mass * (cb%xb(:) .cross. cb%vb(:)) call pl%b2h(cb) oldstat = pl%status(ipl) pl%status(ipl) = INACTIVE @@ -108,20 +108,20 @@ subroutine symba_discard_conserve_mtm(pl, system, param, ipl, lescape_body) pl%status(ipl) = oldstat do i = 1, pl%nbody if (i == ipl) cycle - Lpl(:) = pl%mass(i) * pl%xb(:,i) .cross. pl%vb(:, i) + Lpl(:) = pl%mass(i) * (pl%xb(:,i) .cross. pl%vb(:, i)) Ltot(:) = Ltot(:) - Lpl(:) end do - Ltot(:) = Ltot(:) - cb%mass * cb%xb(:) .cross. cb%vb(:) + Ltot(:) = Ltot(:) - cb%mass * (cb%xb(:) .cross. cb%vb(:)) system%Lescape(:) = system%Lescape(:) + Ltot(:) if (param%lrotation) system%Lescape(:) = system%Lescape + pl%mass(ipl) * pl%radius(ipl)**2 * pl%Ip(3, ipl) * pl%rot(:, ipl) else xcom(:) = (pl%mass(ipl) * pl%xb(:, ipl) + cb%mass * cb%xb(:)) / (cb%mass + pl%mass(ipl)) vcom(:) = (pl%mass(ipl) * pl%vb(:, ipl) + cb%mass * cb%vb(:)) / (cb%mass + pl%mass(ipl)) - Lpl(:) = (pl%xb(:,ipl) - xcom(:)) .cross. pL%vb(:,ipl) - vcom(:) + Lpl(:) = (pl%xb(:,ipl) - xcom(:)) .cross. (pL%vb(:,ipl) - vcom(:)) if (param%lrotation) Lpl(:) = pl%mass(ipl) * (Lpl(:) + pl%radius(ipl)**2 * pl%Ip(3,ipl) * pl%rot(:, ipl)) - Lcb(:) = cb%mass * (cb%xb(:) - xcom(:)) .cross. (cb%vb(:) - vcom(:)) + Lcb(:) = cb%mass * ((cb%xb(:) - xcom(:)) .cross. (cb%vb(:) - vcom(:))) ke_orbit = ke_orbit + 0.5_DP * cb%mass * dot_product(cb%vb(:), cb%vb(:)) if (param%lrotation) ke_spin = ke_spin + 0.5_DP * cb%mass * cb%radius**2 * cb%Ip(3) * dot_product(cb%rot(:), cb%rot(:)) diff --git a/src/tides/tides_getacch_pl.f90 b/src/tides/tides_getacch_pl.f90 index f0bf64cc7..4feb76221 100644 --- a/src/tides/tides_getacch_pl.f90 +++ b/src/tides/tides_getacch_pl.f90 @@ -48,8 +48,8 @@ module subroutine tides_kick_getacch_pl(self, system) Ftr = -3 / rmag**7 * (r5cbterm + r5plterm) - 3 * vmag / rmag * (Ptocb + Ptopl) F_T(:) = (Ftr + (Ptocb + Ptopl) * dot_product(v_unit, r_unit) / rmag) * r_unit(:) & - + Ptopl * (pl%rot(:,i) - theta_dot(:)) .cross. r_unit(:) & - + Ptocb * (cb%rot(:) - theta_dot(:)) .cross. r_unit(:) + + Ptopl * ((pl%rot(:,i) - theta_dot(:)) .cross. r_unit(:)) & + + Ptocb * ((cb%rot(:) - theta_dot(:)) .cross. r_unit(:)) cb%atide(:) = cb%atide(:) + F_T(:) / cb%Gmass pl%atide(:,i) = F_T(:) / pl%Gmass(i) end do diff --git a/src/util/util_get_energy_momentum.f90 b/src/util/util_get_energy_momentum.f90 index fa7cda43d..7535ea67b 100644 --- a/src/util/util_get_energy_momentum.f90 +++ b/src/util/util_get_energy_momentum.f90 @@ -40,20 +40,20 @@ module subroutine util_get_energy_momentum_system(self, param) lstatus(1:npl) = pl%status(1:npl) /= INACTIVE kecb = cb%mass * dot_product(cb%vb(:), cb%vb(:)) - Lcborbit(:) = cb%mass * cb%xb(:) .cross. cb%vb(:) + Lcborbit(:) = cb%mass * (cb%xb(:) .cross. cb%vb(:)) do concurrent (i = 1:npl, lstatus(i)) block ! We use a block construct to prevent generating temporary arrays for local variables - real(DP) :: v2, hx, hy, hz + real(DP) :: v2 + real(DP), dimension(NDIM) :: L + v2 = dot_product(pl%vb(:,i), pl%vb(:,i)) - hx = pl%xb(2,i) * pl%vb(3,i) - pl%xb(3,i) * pl%vb(2,i) - hy = pl%xb(3,i) * pl%vb(1,i) - pl%xb(1,i) * pl%vb(3,i) - hz = pl%xb(1,i) * pl%vb(2,i) - pl%xb(2,i) * pl%vb(1,i) + L(:) = pl%mass(i) * (pl%xb(:,i) .cross. pl%vb(:,i)) ! Angular momentum from orbit - Lplorbitx(i) = pl%mass(i) * hx - Lplorbity(i) = pl%mass(i) * hy - Lplorbitz(i) = pl%mass(i) * hz + Lplorbitx(i) = L(1) + Lplorbity(i) = L(2) + Lplorbitz(i) = L(3) ! Kinetic energy from orbit and spin kepl(i) = pl%mass(i) * v2 @@ -67,21 +67,12 @@ module subroutine util_get_energy_momentum_system(self, param) Lcbspin(:) = cb%Ip(3) * cb%mass * cb%radius**2 * cb%rot(:) do concurrent (i = 1:npl, lstatus(i)) - block - real(DP) :: rot2, hsx, hsy, hsz - - rot2 = dot_product(pl%rot(:,i), pl%rot(:,i)) - ! For simplicity, we always assume that the rotation pole is the 3rd principal axis - hsx = pl%Ip(3,i) * pl%radius(i)**2 * pl%rot(1,i) - hsy = pl%Ip(3,i) * pl%radius(i)**2 * pl%rot(2,i) - hsz = pl%Ip(3,i) * pl%radius(i)**2 * pl%rot(3,i) - - ! Angular momentum from spin - Lplspinx(i) = pl%mass(i) * hsx - Lplspiny(i) = pl%mass(i) * hsy - Lplspinz(i) = pl%mass(i) * hsz - kespinpl(i) = pl%mass(i) * pl%Ip(3, i) * pl%radius(i)**2 * rot2 - end block + ! Currently we assume that the rotation pole is the 3rd principal axis + ! Angular momentum from spin + Lplspinx(i) = pl%mass(i) * pl%Ip(3,i) * pl%radius(i)**2 * pl%rot(1,i) + Lplspiny(i) = pl%mass(i) * pl%Ip(3,i) * pl%radius(i)**2 * pl%rot(2,i) + Lplspinz(i) = pl%mass(i) * pl%Ip(3,i) * pl%radius(i)**2 * pl%rot(3,i) + kespinpl(i) = pl%mass(i) * pl%Ip(3, i) * pl%radius(i)**2 * dot_product(pl%rot(:,i), pl%rot(:,i)) end do else kespincb = 0.0_DP From ec271484d624b3f3e92847505579030267988428 Mon Sep 17 00:00:00 2001 From: David A Minton Date: Mon, 16 Aug 2021 13:04:55 -0400 Subject: [PATCH 20/36] Getting the new fragmentation code more similar to the old one for comparison --- src/fragmentation/fragmentation.f90 | 22 +++++++++++----------- 1 file changed, 11 insertions(+), 11 deletions(-) diff --git a/src/fragmentation/fragmentation.f90 b/src/fragmentation/fragmentation.f90 index 0dd7ddd64..31080d44b 100644 --- a/src/fragmentation/fragmentation.f90 +++ b/src/fragmentation/fragmentation.f90 @@ -132,7 +132,6 @@ module subroutine fragmentation_initialize(system, param, family, x, v, L_spin, call calculate_system_energy(linclude_fragments=.true.) ke_frag_budget = -dEtot - Qloss - call define_coordinate_system() call set_fragment_tan_vel(lfailure) ke_avg_deficit = ke_avg_deficit - ke_radial subtry = subtry + 1 @@ -324,8 +323,10 @@ subroutine define_coordinate_system() x_col_unit(:) = y_col_unit(:) .cross. z_col_unit(:) rmag(:) = .mag. x_frag(:,:) + if (.not.any(rmag(:) > 0.0_DP)) return + call random_number(L_sigma(:,:)) ! Randomize the tangential velocity direction. This helps to ensure that the tangential velocity doesn't completely line up with the angular momentum vector, - ! otherwise we can get an ill-conditioned system + ! otherwise we can get an ill-conditioned system do concurrent(i = 1:nfrag, rmag(i) > 0.0_DP) v_r_unit(:, i) = x_frag(:, i) / rmag(i) v_h_unit(:, i) = z_col_unit(:) + 2e-1_DP * (L_sigma(:,i) - 0.5_DP) @@ -690,15 +691,14 @@ subroutine set_fragment_tan_vel(lerr) ! This will be done using a linear solver that solves for the tangential velocities of the first 6 fragments, constrained by the linear and angular momentum vectors, ! which is embedded in a non-linear minimizer that will adjust the tangential velocities of the remaining i>6 fragments to minimize kinetic energy for a given momentum solution ! The initial conditions fed to the minimizer for the fragments will be the remaining angular momentum distributed between the fragments. - Li(:) = L_remainder(:) / nfrag - do concurrent (i = 1:nfrag) - v_t_initial(i) = norm2(Li(:)) / (m_frag(i) * norm2(x_frag(:,i))) - end do - - v_t_mag(:) = v_t_initial(:) - vb_frag(:,1:nfrag) = vmag_to_vb(v_r_mag(1:nfrag), v_r_unit(:,1:nfrag), v_t_mag(1:nfrag), v_t_unit(:,1:nfrag), m_frag(1:nfrag), vcom(:)) - do concurrent(i = 1:nfrag) - v_frag(:, i) = vb_frag(:, i) - vcom(:) + ! Li(:) = L_remainder(:) / nfrag + ! do concurrent (i = 1:nfrag) + ! v_t_initial(i) = norm2(Li(:)) / (m_frag(i) * norm2(x_frag(:,i))) + ! end do + do i = 1, nfrag + v_t_initial(i) = norm2(L_remainder(:)) / ((nfrag - i + 1) * m_frag(i) * norm2(x_frag(:,i))) + Li(:) = m_frag(i) * (x_frag(:,i) .cross. (v_t_initial(i) * v_t_unit(:, i))) + L_remainder(:) = L_remainder(:) - Li(:) end do ! Find the local kinetic energy minimum for the system that conserves linear and angular momentum From 244065786b8d30e194a63c91ecc6a17f69a31f2d Mon Sep 17 00:00:00 2001 From: David A Minton Date: Mon, 16 Aug 2021 14:24:38 -0400 Subject: [PATCH 21/36] Fixed problems with coordinate xform --- src/fragmentation/fragmentation.f90 | 36 ++++++++++++++--------------- 1 file changed, 17 insertions(+), 19 deletions(-) diff --git a/src/fragmentation/fragmentation.f90 b/src/fragmentation/fragmentation.f90 index 31080d44b..a2cccdbf3 100644 --- a/src/fragmentation/fragmentation.f90 +++ b/src/fragmentation/fragmentation.f90 @@ -34,7 +34,7 @@ module subroutine fragmentation_initialize(system, param, family, x, v, L_spin, real(DP), dimension(NDIM) :: Ltot_after real(DP) :: Etot_before, ke_orbit_before, ke_spin_before, pe_before, Lmag_before real(DP) :: Etot_after, ke_orbit_after, ke_spin_after, pe_after, Lmag_after, dEtot, dLmag - real(DP), dimension(NDIM) :: L_frag_tot, L_frag_orb, L_frag_spin, L_frag_budget, Lorbit_before, Lorbit_after, Lspin_before, Lspin_after + real(DP), dimension(NDIM) :: L_frag_tot, L_frag_orb, L_frag_spin, L_frag_budget, Lorbit_before, Lorbit_after, Lspin_before, Lspin_after, dL real(DP) :: ke_frag_budget, ke_frag_orbit, ke_radial, ke_frag_spin, ke_avg_deficit, ke_avg_deficit_old real(DP), dimension(NDIM) :: x_col_unit, y_col_unit, z_col_unit character(len=*), parameter :: fmtlabel = "(A14,10(ES11.4,1X,:))" @@ -130,7 +130,8 @@ module subroutine fragmentation_initialize(system, param, family, x, v, L_spin, end do call calculate_system_energy(linclude_fragments=.true.) - ke_frag_budget = -dEtot - Qloss + L_frag_budget(:) = -dL(:) + ke_frag_budget = -dEtot - Qloss call set_fragment_tan_vel(lfailure) ke_avg_deficit = ke_avg_deficit - ke_radial @@ -284,7 +285,8 @@ subroutine restore_scale_factors() Ltot_after = Ltot_after * Lscale Lmag_after = Lmag_after * Lscale - dLmag = norm2(Ltot_after(:) - Ltot_before(:)) + dL(:) = Ltot_after(:) - Ltot_before(:) + dLmag = .mag.dL(:) dEtot = Etot_after - Etot_before call tmpsys%rescale(tmpparam, mscale**(-1), dscale**(-1), tscale**(-1)) @@ -447,6 +449,7 @@ subroutine calculate_system_energy(linclude_fragments) class is (symba_pl) select type(param) class is (symba_parameters) + if (linclude_fragments) call add_fragments_to_tmpsys() ! Adds or updates the fragment properties to their current values plwksp%nplm = count(plwksp%Gmass > param%Gmtiny / mscale) end select end select @@ -481,7 +484,8 @@ subroutine calculate_system_energy(linclude_fragments) pe_after = tmpsys%pe Etot_after = tmpsys%te dEtot = Etot_after - Etot_before - dLmag = norm2(Ltot_after(:) - Ltot_before(:)) + dL(:) = Ltot_after(:) - Ltot_before(:) + dLmag = .mag.dL(:) else Lorbit_before(:) = tmpsys%Lorbit Lspin_before(:) = tmpsys%Lspin @@ -595,8 +599,6 @@ subroutine set_fragment_position_vectors() xb_frag(:,i) = x_frag(:,i) + xcom(:) end do - call add_fragments_to_tmpsys() - xcom(:) = 0.0_DP do i = 1, nfrag xcom(:) = xcom(:) + m_frag(i) * xb_frag(:,i) @@ -627,7 +629,7 @@ subroutine set_fragment_tan_vel(lerr) integer(I4B) :: i real(DP), parameter :: TOL_MIN = 1e-1_DP ! This doesn't have to be very accurate, as we really just want a tangential velocity distribution with less kinetic energy than our initial guess. real(DP), parameter :: TOL_INIT = 1e-14_DP - real(DP) :: tol + real(DP) :: tol real(DP), dimension(:), allocatable :: v_t_initial real(DP), dimension(nfrag) :: kefrag type(lambda_obj) :: spinfunc @@ -659,6 +661,9 @@ subroutine set_fragment_tan_vel(lerr) return end if + ! This subroutine calculates the ke budget in the collision frame, so we need to subract off the barycentric velocity + ke_frag_budget = ke_frag_budget + 0.5_DP * vcom2 * dot_product(vcom(:), vcom(:) + allocate(v_t_initial, mold=v_t_mag) v_frag(:,:) = 0.0_DP @@ -691,15 +696,10 @@ subroutine set_fragment_tan_vel(lerr) ! This will be done using a linear solver that solves for the tangential velocities of the first 6 fragments, constrained by the linear and angular momentum vectors, ! which is embedded in a non-linear minimizer that will adjust the tangential velocities of the remaining i>6 fragments to minimize kinetic energy for a given momentum solution ! The initial conditions fed to the minimizer for the fragments will be the remaining angular momentum distributed between the fragments. - ! Li(:) = L_remainder(:) / nfrag - ! do concurrent (i = 1:nfrag) - ! v_t_initial(i) = norm2(Li(:)) / (m_frag(i) * norm2(x_frag(:,i))) - ! end do - do i = 1, nfrag - v_t_initial(i) = norm2(L_remainder(:)) / ((nfrag - i + 1) * m_frag(i) * norm2(x_frag(:,i))) - Li(:) = m_frag(i) * (x_frag(:,i) .cross. (v_t_initial(i) * v_t_unit(:, i))) - L_remainder(:) = L_remainder(:) - Li(:) - end do + Li(:) = L_remainder(:) / nfrag + do concurrent (i = 1:nfrag) + v_t_initial(i) = norm2(Li(:)) / (m_frag(i) * norm2(x_frag(:,i))) + end do ! Find the local kinetic energy minimum for the system that conserves linear and angular momentum objective_function = lambda_obj(tangential_objective_function, lerr) @@ -719,7 +719,6 @@ subroutine set_fragment_tan_vel(lerr) do concurrent (i = 1:nfrag) v_frag(:,i) = vb_frag(:,i) - vcom(:) end do - call add_fragments_to_tmpsys() ! Now do a kinetic energy budget check to make sure we are still within the budget. kefrag = 0.0_DP @@ -813,7 +812,7 @@ function solve_fragment_tan_vel(lerr, v_t_mag_input) result(v_t_mag_output) end if end do b(1:3) = -L_lin_others(:) - b(4:6) = L_frag_orb(:) - L_orb_others(:) + b(4:6) = L_frag_budget(:) - L_frag_tot(:) - L_orb_others(:) allocate(v_t_mag_output(nfrag)) v_t_mag_output(1:6) = util_solve_linear_system(A, b, 6, lerr) if (present(v_t_mag_input)) v_t_mag_output(7:nfrag) = v_t_mag_input(:) @@ -865,7 +864,6 @@ subroutine set_fragment_radial_velocities(lerr) do i = 1, nfrag v_frag(:, i) = vb_frag(:, i) - vcom(:) end do - call add_fragments_to_tmpsys() do concurrent(i = 1:nfrag) kearr(i) = m_frag(i) * dot_product(vb_frag(:, i), vb_frag(:, i)) From 03a1e1f757b79218f42fd8eab2d53e93567d0c55 Mon Sep 17 00:00:00 2001 From: David A Minton Date: Mon, 16 Aug 2021 15:50:57 -0400 Subject: [PATCH 22/36] Added in a separate set_fragment_spin nested subroutine to separate tasks more clearly --- src/fragmentation/fragmentation.f90 | 114 ++++++++++++++++------------ 1 file changed, 65 insertions(+), 49 deletions(-) diff --git a/src/fragmentation/fragmentation.f90 b/src/fragmentation/fragmentation.f90 index a2cccdbf3..cc9a102f0 100644 --- a/src/fragmentation/fragmentation.f90 +++ b/src/fragmentation/fragmentation.f90 @@ -132,6 +132,11 @@ module subroutine fragmentation_initialize(system, param, family, x, v, L_spin, call calculate_system_energy(linclude_fragments=.true.) L_frag_budget(:) = -dL(:) ke_frag_budget = -dEtot - Qloss + ! The ke constraints are calcualted in the collision frame, so undo the barycentric velocity component + ke_frag_budget = ke_frag_budget + 0.5_DP * mtot * dot_product(vcom(:), vcom(:)) + + call set_fragment_spin(lfailure) + if (lfailure) cycle call set_fragment_tan_vel(lfailure) ke_avg_deficit = ke_avg_deficit - ke_radial @@ -145,14 +150,10 @@ module subroutine fragmentation_initialize(system, param, family, x, v, L_spin, if (.not.lfailure) then call calculate_system_energy(linclude_fragments=.true.) ke_radial = -dEtot - Qloss - write(*,*) 'Pre-radial dL/L0: ', abs(dLmag) / Lmag_before call set_fragment_radial_velocities(lfailure) - ! if (lfailure) write(*,*) 'Failed to find radial velocities' + if (lfailure) write(*,*) 'Failed to find radial velocities' if (.not.lfailure) then call calculate_system_energy(linclude_fragments=.true.) - write(*,*) 'Qloss : ',Qloss - write(*,*) '-dEtot: ',-dEtot - write(*,*) 'delta : ',abs((dEtot + Qloss)) if ((abs(dEtot + Qloss) > Etol) .or. (dEtot > 0.0_DP)) then write(*,*) 'Failed due to high energy error: ',dEtot, abs(dEtot + Qloss) / Etol lfailure = .true. @@ -609,6 +610,53 @@ subroutine set_fragment_position_vectors() end subroutine set_fragment_position_vectors + subroutine set_fragment_spin(lerr) + !! Author: Jennifer L.L. Pouplin, Carlisle A. Wishard, and David A. Minton + !! + !! Sets the spins of a collection of fragments such that they conserve angular momentum without blowing the fragment kinetic energy budget. + !! + !! A failure will trigger a restructuring of the fragments so we will try new values of the radial position distribution. + implicit none + ! Arguments + logical, intent(out) :: lerr + ! Internals + real(DP), dimension(NDIM) :: L_remainder, rot_L, rot_ke + integer(I4B) :: i + + if (ke_frag_budget < 0.0_DP) then + !write(*,*) 'Negative ke_frag_budget: ',ke_frag_budget + r_max_start = r_max_start / 2 + lerr = .true. + return + end if + + ! Start the first two bodies with the same rotation as the original two impactors, then distribute the remaining angular momentum among the rest + v_frag(:,:) = 0.0_DP + rot_frag(:,1:2) = rot(:, :) + rot_frag(:,3:nfrag) = 0.0_DP + call calculate_fragment_ang_mtm() + L_remainder(:) = L_frag_budget(:) - L_frag_spin(:) + + ke_frag_spin = 0.0_DP + do i = 1, nfrag + ! Convert a fraction (f_spin) of either the remaining angular momentum or kinetic energy budget into spin, whichever gives the smaller rotation so as not to blow any budgets + rot_ke(:) = sqrt(2 * f_spin * ke_frag_budget / (nfrag * m_frag(i) * rad_frag(i)**2 * Ip_frag(3, i))) * L_remainder(:) / norm2(L_remainder(:)) + rot_L(:) = f_spin * L_remainder(:) / (nfrag * m_frag(i) * rad_frag(i)**2 * Ip_frag(3, i)) + if (norm2(rot_ke) < norm2(rot_L)) then + rot_frag(:,i) = rot_frag(:, i) + rot_ke(:) + else + rot_frag(:, i) = rot_frag(:, i) + rot_L(:) + end if + ke_frag_spin = ke_frag_spin + m_frag(i) * Ip_frag(3, i) * rad_frag(i)**2 * dot_product(rot_frag(:, i), rot_frag(:, i)) + end do + ke_frag_spin = 0.5_DP * ke_frag_spin + + call calculate_fragment_ang_mtm() + + return + end subroutine set_fragment_spin + + subroutine set_fragment_tan_vel(lerr) !! Author: Jennifer L.L. Pouplin, Carlisle A. Wishard, and David A. Minton !! @@ -634,7 +682,7 @@ subroutine set_fragment_tan_vel(lerr) real(DP), dimension(nfrag) :: kefrag type(lambda_obj) :: spinfunc type(lambda_obj_err) :: objective_function - real(DP), dimension(NDIM) :: L_remainder, Li, rot_L, rot_ke + real(DP), dimension(NDIM) :: Li lerr = .false. @@ -654,49 +702,22 @@ subroutine set_fragment_tan_vel(lerr) ! write(*,*) 'Qloss : ',Qloss ! write(*,*) '***************************************************' - if (ke_frag_budget < 0.0_DP) then - write(*,*) 'Negative ke_frag_budget: ',ke_frag_budget + if ((ke_frag_budget - ke_frag_spin) < 0.0_DP) then + !write(*,*) 'Negative ke_frag_budget: ',ke_frag_budget r_max_start = r_max_start / 2 lerr = .true. return end if - ! This subroutine calculates the ke budget in the collision frame, so we need to subract off the barycentric velocity - ke_frag_budget = ke_frag_budget + 0.5_DP * vcom2 * dot_product(vcom(:), vcom(:) - allocate(v_t_initial, mold=v_t_mag) - + v_t_initial(:) = 0.0_DP v_frag(:,:) = 0.0_DP - vb_frag(:,:) = 0.0_DP - - ke_frag_spin = 0.0_DP - ! Start the first two bodies with the same rotation as the original two impactors, then distribute the remaining angular momentum among the rest - rot_frag(:,1:2) = rot(:, :) - rot_frag(:,3:nfrag) = 0.0_DP - call calculate_fragment_ang_mtm() - L_remainder(:) = L_frag_budget(:) - L_frag_spin(:) - - do i = 1, nfrag - ! Convert a fraction (f_spin) of either the remaining angular momentum or kinetic energy budget into spin, whichever gives the smaller rotation so as not to blow any budgets - rot_ke(:) = sqrt(2 * f_spin * ke_frag_budget / (nfrag * m_frag(i) * rad_frag(i)**2 * Ip_frag(3, i))) * L_remainder(:) / norm2(L_remainder(:)) - rot_L(:) = f_spin * L_remainder(:) / (nfrag * m_frag(i) * rad_frag(i)**2 * Ip_frag(3, i)) - if (norm2(rot_ke) < norm2(rot_L)) then - rot_frag(:,i) = rot_frag(:, i) + rot_ke(:) - else - rot_frag(:, i) = rot_frag(:, i) + rot_L(:) - end if - ke_frag_spin = ke_frag_spin + m_frag(i) * Ip_frag(3, i) * rad_frag(i)**2 * dot_product(rot_frag(:, i), rot_frag(:, i)) - end do - ke_frag_spin = 0.5_DP * ke_frag_spin - - call calculate_fragment_ang_mtm() - L_remainder(:) = L_frag_budget(:) - L_frag_tot(:) ! Next we will solve for the tangential component of the velocities that both conserves linear momentum and uses the remaining angular momentum not used in spin. ! This will be done using a linear solver that solves for the tangential velocities of the first 6 fragments, constrained by the linear and angular momentum vectors, ! which is embedded in a non-linear minimizer that will adjust the tangential velocities of the remaining i>6 fragments to minimize kinetic energy for a given momentum solution ! The initial conditions fed to the minimizer for the fragments will be the remaining angular momentum distributed between the fragments. - Li(:) = L_remainder(:) / nfrag + Li(:) = L_frag_budget(:) / nfrag do concurrent (i = 1:nfrag) v_t_initial(i) = norm2(Li(:)) / (m_frag(i) * norm2(x_frag(:,i))) end do @@ -726,19 +747,18 @@ subroutine set_fragment_tan_vel(lerr) kefrag(i) = m_frag(i) * dot_product(vb_frag(:, i), vb_frag(:, i)) end do ke_frag_orbit = 0.5_DP * sum(kefrag(:)) - ke_radial = ke_frag_budget - ke_frag_orbit - ke_frag_spin + ke_radial = ke_frag_budget - ke_frag_spin - ke_frag_orbit call calculate_fragment_ang_mtm() - L_remainder(:) = L_frag_budget(:) - L_frag_tot(:) + L_frag_budget(:) = L_frag_budget(:) - L_frag_orb(:) ! If we are over the energy budget, flag this as a failure so we can try again lerr = (ke_radial < 0.0_DP) write(*,*) 'Tangential' write(*,*) 'Failure? ',lerr - write(*,*) '|L_remainder| : ',.mag.L_remainder(:) / Lmag_before + write(*,*) '|L_remainder| : ',.mag.L_frag_budget(:) / Lmag_before write(*,*) 'ke_frag_budget: ',ke_frag_budget write(*,*) 'ke_frag_spin : ',ke_frag_spin write(*,*) 'ke_tangential : ',ke_frag_orbit - write(*,*) 'ke_remainder : ',ke_radial return end subroutine set_fragment_tan_vel @@ -812,7 +832,7 @@ function solve_fragment_tan_vel(lerr, v_t_mag_input) result(v_t_mag_output) end if end do b(1:3) = -L_lin_others(:) - b(4:6) = L_frag_budget(:) - L_frag_tot(:) - L_orb_others(:) + b(4:6) = L_frag_budget(:) - L_frag_spin(:) - L_orb_others(:) allocate(v_t_mag_output(nfrag)) v_t_mag_output(1:6) = util_solve_linear_system(A, b, 6, lerr) if (present(v_t_mag_input)) v_t_mag_output(7:nfrag) = v_t_mag_input(:) @@ -836,7 +856,6 @@ subroutine set_fragment_radial_velocities(lerr) integer(I4B) :: i, j real(DP), dimension(:), allocatable :: v_r_initial, v_r_sigma real(DP), dimension(:,:), allocatable :: v_r - real(DP), dimension(nfrag) :: kearr, kespinarr type(lambda_obj) :: objective_function ! Set the "target" ke_orbit_after (the value of the orbital kinetic energy that the fragments ought to have) @@ -860,17 +879,14 @@ subroutine set_fragment_radial_velocities(lerr) end do ! Shift the radial velocity vectors to align with the center of mass of the collisional system (the origin) + ke_frag_orbit = 0.0_DP vb_frag(:,1:nfrag) = vmag_to_vb(v_r_mag(1:nfrag), v_r_unit(:,1:nfrag), v_t_mag(1:nfrag), v_t_unit(:,1:nfrag), m_frag(1:nfrag), vcom(:)) do i = 1, nfrag v_frag(:, i) = vb_frag(:, i) - vcom(:) + ke_frag_orbit = ke_frag_orbit + m_frag(i) * dot_product(vb_frag(:, i), vb_frag(:, i)) end do + ke_frag_orbit = 0.5_DP * ke_frag_orbit - do concurrent(i = 1:nfrag) - kearr(i) = m_frag(i) * dot_product(vb_frag(:, i), vb_frag(:, i)) - kespinarr(i) = m_frag(i) * Ip_frag(3, i) * rad_frag(i)**2 * dot_product(rot_frag(:,i), rot_frag(:,i)) - end do - ke_frag_orbit = 0.5_DP * sum(kearr(:)) - ke_frag_spin = 0.5_DP * sum(kespinarr(:)) write(*,*) 'Radial' write(*,*) 'Failure? ',lerr write(*,*) 'ke_frag_budget: ',ke_frag_budget From 282a85a1295f2e394db09afb00b166d8d5bceeeb Mon Sep 17 00:00:00 2001 From: David A Minton Date: Mon, 16 Aug 2021 16:03:47 -0400 Subject: [PATCH 23/36] Rearranged budget checks so that the L and ke budgets are not altereed during computation --- src/fragmentation/fragmentation.f90 | 5 ++--- 1 file changed, 2 insertions(+), 3 deletions(-) diff --git a/src/fragmentation/fragmentation.f90 b/src/fragmentation/fragmentation.f90 index cc9a102f0..cdb06bfb6 100644 --- a/src/fragmentation/fragmentation.f90 +++ b/src/fragmentation/fragmentation.f90 @@ -748,14 +748,13 @@ subroutine set_fragment_tan_vel(lerr) end do ke_frag_orbit = 0.5_DP * sum(kefrag(:)) ke_radial = ke_frag_budget - ke_frag_spin - ke_frag_orbit - call calculate_fragment_ang_mtm() - L_frag_budget(:) = L_frag_budget(:) - L_frag_orb(:) ! If we are over the energy budget, flag this as a failure so we can try again lerr = (ke_radial < 0.0_DP) write(*,*) 'Tangential' write(*,*) 'Failure? ',lerr - write(*,*) '|L_remainder| : ',.mag.L_frag_budget(:) / Lmag_before + call calculate_fragment_ang_mtm() + write(*,*) '|L_remainder| : ',.mag.(L_frag_budget(:) - L_frag_tot(:)) / Lmag_before write(*,*) 'ke_frag_budget: ',ke_frag_budget write(*,*) 'ke_frag_spin : ',ke_frag_spin write(*,*) 'ke_tangential : ',ke_frag_orbit From b0b20513c2f921b058586a2a0a9dbeb332b28ecd Mon Sep 17 00:00:00 2001 From: David A Minton Date: Mon, 16 Aug 2021 16:31:40 -0400 Subject: [PATCH 24/36] Rearranged calculations to keep track of fewer global quantities in fragmentation_initialize --- src/fragmentation/fragmentation.f90 | 55 ++++++++++++----------------- 1 file changed, 22 insertions(+), 33 deletions(-) diff --git a/src/fragmentation/fragmentation.f90 b/src/fragmentation/fragmentation.f90 index cdb06bfb6..1abc61ca3 100644 --- a/src/fragmentation/fragmentation.f90 +++ b/src/fragmentation/fragmentation.f90 @@ -35,7 +35,7 @@ module subroutine fragmentation_initialize(system, param, family, x, v, L_spin, real(DP) :: Etot_before, ke_orbit_before, ke_spin_before, pe_before, Lmag_before real(DP) :: Etot_after, ke_orbit_after, ke_spin_after, pe_after, Lmag_after, dEtot, dLmag real(DP), dimension(NDIM) :: L_frag_tot, L_frag_orb, L_frag_spin, L_frag_budget, Lorbit_before, Lorbit_after, Lspin_before, Lspin_after, dL - real(DP) :: ke_frag_budget, ke_frag_orbit, ke_radial, ke_frag_spin, ke_avg_deficit, ke_avg_deficit_old + real(DP) :: ke_frag_budget, ke_frag_orbit, ke_frag_spin, ke_avg_deficit, ke_avg_deficit_old real(DP), dimension(NDIM) :: x_col_unit, y_col_unit, z_col_unit character(len=*), parameter :: fmtlabel = "(A14,10(ES11.4,1X,:))" integer(I4B) :: try, subtry @@ -123,6 +123,8 @@ module subroutine fragmentation_initialize(system, param, family, x, v, L_spin, rot_frag(:,:) = 0.0_DP v_t_mag(:) = 0.0_DP v_r_mag(:) = 0.0_DP + ke_frag_orbit = 0.0_DP + ke_frag_spin = 0.0_DP call set_fragment_position_vectors() do concurrent (ii = 1:nfrag) @@ -131,16 +133,14 @@ module subroutine fragmentation_initialize(system, param, family, x, v, L_spin, call calculate_system_energy(linclude_fragments=.true.) L_frag_budget(:) = -dL(:) - ke_frag_budget = -dEtot - Qloss ! The ke constraints are calcualted in the collision frame, so undo the barycentric velocity component - ke_frag_budget = ke_frag_budget + 0.5_DP * mtot * dot_product(vcom(:), vcom(:)) + ke_frag_budget = -(dEtot - 0.5_DP * mtot * dot_product(vcom(:), vcom(:))) - Qloss call set_fragment_spin(lfailure) - if (lfailure) cycle - - call set_fragment_tan_vel(lfailure) - ke_avg_deficit = ke_avg_deficit - ke_radial + if (.not.lfailure) call set_fragment_tan_vel(lfailure) + ke_avg_deficit = ke_avg_deficit - (ke_frag_orbit + ke_frag_spin) subtry = subtry + 1 + if (.not.lfailure .or. subtry == TANTRY) exit write(*,*) 'Trying new arrangement' end do @@ -149,7 +149,6 @@ module subroutine fragmentation_initialize(system, param, family, x, v, L_spin, if (.not.lfailure) then call calculate_system_energy(linclude_fragments=.true.) - ke_radial = -dEtot - Qloss call set_fragment_radial_velocities(lfailure) if (lfailure) write(*,*) 'Failed to find radial velocities' if (.not.lfailure) then @@ -618,20 +617,14 @@ subroutine set_fragment_spin(lerr) !! A failure will trigger a restructuring of the fragments so we will try new values of the radial position distribution. implicit none ! Arguments - logical, intent(out) :: lerr + logical, intent(out) :: lerr ! Internals real(DP), dimension(NDIM) :: L_remainder, rot_L, rot_ke integer(I4B) :: i - if (ke_frag_budget < 0.0_DP) then - !write(*,*) 'Negative ke_frag_budget: ',ke_frag_budget - r_max_start = r_max_start / 2 - lerr = .true. - return - end if + lerr = .false. ! Start the first two bodies with the same rotation as the original two impactors, then distribute the remaining angular momentum among the rest - v_frag(:,:) = 0.0_DP rot_frag(:,1:2) = rot(:, :) rot_frag(:,3:nfrag) = 0.0_DP call calculate_fragment_ang_mtm() @@ -651,7 +644,7 @@ subroutine set_fragment_spin(lerr) end do ke_frag_spin = 0.5_DP * ke_frag_spin - call calculate_fragment_ang_mtm() + lerr = ((ke_frag_budget - ke_frag_spin - ke_frag_orbit) < 0.0_DP) return end subroutine set_fragment_spin @@ -702,13 +695,6 @@ subroutine set_fragment_tan_vel(lerr) ! write(*,*) 'Qloss : ',Qloss ! write(*,*) '***************************************************' - if ((ke_frag_budget - ke_frag_spin) < 0.0_DP) then - !write(*,*) 'Negative ke_frag_budget: ',ke_frag_budget - r_max_start = r_max_start / 2 - lerr = .true. - return - end if - allocate(v_t_initial, mold=v_t_mag) v_t_initial(:) = 0.0_DP v_frag(:,:) = 0.0_DP @@ -717,10 +703,11 @@ subroutine set_fragment_tan_vel(lerr) ! This will be done using a linear solver that solves for the tangential velocities of the first 6 fragments, constrained by the linear and angular momentum vectors, ! which is embedded in a non-linear minimizer that will adjust the tangential velocities of the remaining i>6 fragments to minimize kinetic energy for a given momentum solution ! The initial conditions fed to the minimizer for the fragments will be the remaining angular momentum distributed between the fragments. - Li(:) = L_frag_budget(:) / nfrag - do concurrent (i = 1:nfrag) - v_t_initial(i) = norm2(Li(:)) / (m_frag(i) * norm2(x_frag(:,i))) - end do + call calculate_fragment_ang_mtm() + Li(:) = (L_frag_budget(:) - L_frag_spin(:)) / nfrag + do concurrent (i = 1:nfrag) + v_t_initial(i) = norm2(Li(:)) / (m_frag(i) * norm2(x_frag(:,i))) + end do ! Find the local kinetic energy minimum for the system that conserves linear and angular momentum objective_function = lambda_obj(tangential_objective_function, lerr) @@ -747,10 +734,9 @@ subroutine set_fragment_tan_vel(lerr) kefrag(i) = m_frag(i) * dot_product(vb_frag(:, i), vb_frag(:, i)) end do ke_frag_orbit = 0.5_DP * sum(kefrag(:)) - ke_radial = ke_frag_budget - ke_frag_spin - ke_frag_orbit ! If we are over the energy budget, flag this as a failure so we can try again - lerr = (ke_radial < 0.0_DP) + lerr = ((ke_frag_budget - ke_frag_spin - ke_frag_orbit) < 0.0_DP) write(*,*) 'Tangential' write(*,*) 'Failure? ',lerr call calculate_fragment_ang_mtm() @@ -758,6 +744,7 @@ subroutine set_fragment_tan_vel(lerr) write(*,*) 'ke_frag_budget: ',ke_frag_budget write(*,*) 'ke_frag_spin : ',ke_frag_spin write(*,*) 'ke_tangential : ',ke_frag_orbit + write(*,*) 'ke_radial : ',ke_frag_budget - ke_frag_spin - ke_frag_orbit return end subroutine set_fragment_tan_vel @@ -851,13 +838,14 @@ subroutine set_fragment_radial_velocities(lerr) ! Internals real(DP), parameter :: TOL_MIN = Etol ! This needs to be more accurate than the tangential step, as we are trying to minimize the total residual energy real(DP), parameter :: TOL_INIT = 1e-12_DP - real(DP) :: tol + real(DP) :: ke_radial, tol integer(I4B) :: i, j real(DP), dimension(:), allocatable :: v_r_initial, v_r_sigma real(DP), dimension(:,:), allocatable :: v_r type(lambda_obj) :: objective_function - ! Set the "target" ke_orbit_after (the value of the orbital kinetic energy that the fragments ought to have) + ! Set the "target" ke for the radial component + ke_radial = ke_frag_budget - ke_frag_spin - ke_frag_orbit allocate(v_r_initial, source=v_r_mag) ! Initialize radial velocity magnitudes with a random value that is approximately 10% of that found by distributing the kinetic energy equally @@ -912,7 +900,7 @@ function radial_objective_function(v_r_mag_input) result(fval) integer(I4B) :: i real(DP), dimension(:,:), allocatable :: v_shift real(DP), dimension(nfrag) :: kearr - real(DP) :: keo + real(DP) :: keo, ke_radial allocate(v_shift, mold=vb_frag) v_shift(:,:) = vmag_to_vb(v_r_mag_input, v_r_unit, v_t_mag, v_t_unit, m_frag, vcom) @@ -920,6 +908,7 @@ function radial_objective_function(v_r_mag_input) result(fval) kearr(i) = m_frag(i) * (Ip_frag(3, i) * rad_frag(i)**2 * dot_product(rot_frag(:, i), rot_frag(:, i)) + dot_product(v_shift(:, i), v_shift(:, i))) end do keo = 2 * ke_frag_budget - sum(kearr(:)) + ke_radial = ke_frag_budget - ke_frag_orbit - ke_frag_spin ! The following ensures that fval = 0 is a local minimum, which is what the BFGS method is searching for fval = (keo / (2 * ke_radial))**2 From 9e78e8a7e9c2155c84f9daa5a5182b48451787a2 Mon Sep 17 00:00:00 2001 From: David A Minton Date: Mon, 16 Aug 2021 16:44:55 -0400 Subject: [PATCH 25/36] Simplified the main loop of the fragmentation_initialize procedure so that there is less to keep track of --- src/fragmentation/fragmentation.f90 | 91 ++++++++++++++++------------- 1 file changed, 49 insertions(+), 42 deletions(-) diff --git a/src/fragmentation/fragmentation.f90 b/src/fragmentation/fragmentation.f90 index 1abc61ca3..5438c0936 100644 --- a/src/fragmentation/fragmentation.f90 +++ b/src/fragmentation/fragmentation.f90 @@ -38,13 +38,12 @@ module subroutine fragmentation_initialize(system, param, family, x, v, L_spin, real(DP) :: ke_frag_budget, ke_frag_orbit, ke_frag_spin, ke_avg_deficit, ke_avg_deficit_old real(DP), dimension(NDIM) :: x_col_unit, y_col_unit, z_col_unit character(len=*), parameter :: fmtlabel = "(A14,10(ES11.4,1X,:))" - integer(I4B) :: try, subtry + integer(I4B) :: try integer(I4B), parameter :: NFRAG_MIN = 7 !! The minimum allowable number of fragments (set to 6 because that's how many unknowns are needed in the tangential velocity calculation) real(DP) :: r_max_start, r_max_start_old, r_max, f_spin real(DP), parameter :: Ltol = 10 * epsilon(1.0_DP) real(DP), parameter :: Etol = 1e-6_DP integer(I4B), parameter :: MAXTRY = 3000 - integer(I4B), parameter :: TANTRY = 3 logical, dimension(size(IEEE_ALL)) :: fpe_halting_modes, fpe_quiet_modes class(swiftest_nbody_system), allocatable :: tmpsys class(swiftest_parameters), allocatable :: tmpparam @@ -105,50 +104,41 @@ module subroutine fragmentation_initialize(system, param, family, x, v, L_spin, ! Calculate the initial energy of the system without the collisional family call calculate_system_energy(linclude_fragments=.false.) - r_max_start = 10 * norm2(x(:,2) - x(:,1)) + r_max_start = 1 * norm2(x(:,2) - x(:,1)) try = 1 lfailure = .false. ke_avg_deficit = 0.0_DP do while (try < MAXTRY) lfailure = .false. - ke_avg_deficit_old = ke_avg_deficit - ke_avg_deficit = 0.0_DP - subtry = 1 - do - ! Initialize the fragments with 0 velocity and spin so we can divide up the balance between the tangential, radial, and spin components while conserving momentum - xb_frag(:,:) = 0.0_DP - vb_frag(:,:) = 0.0_DP - x_frag(:,:) = 0.0_DP - v_frag(:,:) = 0.0_DP - rot_frag(:,:) = 0.0_DP - v_t_mag(:) = 0.0_DP - v_r_mag(:) = 0.0_DP - ke_frag_orbit = 0.0_DP - ke_frag_spin = 0.0_DP - call set_fragment_position_vectors() + call reset_fragments() - do concurrent (ii = 1:nfrag) - vb_frag(:, ii) = vcom(:) - end do - - call calculate_system_energy(linclude_fragments=.true.) - L_frag_budget(:) = -dL(:) - ! The ke constraints are calcualted in the collision frame, so undo the barycentric velocity component - ke_frag_budget = -(dEtot - 0.5_DP * mtot * dot_product(vcom(:), vcom(:))) - Qloss + call set_fragment_position_vectors() - call set_fragment_spin(lfailure) - if (.not.lfailure) call set_fragment_tan_vel(lfailure) - ke_avg_deficit = ke_avg_deficit - (ke_frag_orbit + ke_frag_spin) - subtry = subtry + 1 - - if (.not.lfailure .or. subtry == TANTRY) exit - write(*,*) 'Trying new arrangement' + do concurrent (ii = 1:nfrag) + vb_frag(:, ii) = vcom(:) end do - ke_avg_deficit = ke_avg_deficit / subtry - if (lfailure) write(*,*) 'Failed to find tangential velocities' - if (.not.lfailure) then - call calculate_system_energy(linclude_fragments=.true.) + call calculate_system_energy(linclude_fragments=.true.) + L_frag_budget(:) = -dL(:) + ! The ke constraints are calcualted in the collision frame, so undo the barycentric velocity component + ke_frag_budget = -(dEtot - 0.5_DP * mtot * dot_product(vcom(:), vcom(:))) - Qloss + + call set_fragment_spin(lfailure) + if (lfailure) then ! Too much spin! Try reducing the fraction put into spin and try again + if (f_spin > epsilon(1.0_DP)) then + f_spin = f_spin / 2 + else + f_spin = 0.0_DP + end if + else + call set_fragment_tan_vel(lfailure) + end if + + if (lfailure) then + write(*,*) 'Failed to find tangential velocities' + ke_avg_deficit = ke_avg_deficit - (ke_frag_orbit + ke_frag_spin) + else + !call calculate_system_energy(linclude_fragments=.true.) call set_fragment_radial_velocities(lfailure) if (lfailure) write(*,*) 'Failed to find radial velocities' if (.not.lfailure) then @@ -301,6 +291,28 @@ subroutine restore_scale_factors() return end subroutine restore_scale_factors + subroutine reset_fragments() + !! author: David A. Minton + !! + !! Resets all tracked fragment quantities in order to do a fresh calculation + !! Initialize the fragments with 0 velocity and spin so we can divide up the balance between the tangential, radial, and spin components while conserving momentum + implicit none + + xb_frag(:,:) = 0.0_DP + vb_frag(:,:) = 0.0_DP + x_frag(:,:) = 0.0_DP + v_frag(:,:) = 0.0_DP + rot_frag(:,:) = 0.0_DP + v_t_mag(:) = 0.0_DP + v_r_mag(:) = 0.0_DP + ke_frag_orbit = 0.0_DP + ke_frag_spin = 0.0_DP + L_frag_orb(:) = 0.0_DP + L_frag_spin(:) = 0.0_DP + + return + end subroutine reset_fragments + subroutine define_coordinate_system() !! author: David A. Minton @@ -971,11 +983,6 @@ subroutine restructure_failed_fragments() end if r_max_start_old = r_max_start r_max_start = r_max_start + delta_r ! The larger lever arm can help if the problem is in the angular momentum step - if (f_spin > epsilon(1.0_DP)) then - f_spin = f_spin / 2 - else - f_spin = 0.0_DP - end if return end subroutine restructure_failed_fragments From fb8effb175a605939552cce57cb041ad424f4e79 Mon Sep 17 00:00:00 2001 From: David A Minton Date: Mon, 16 Aug 2021 17:37:43 -0400 Subject: [PATCH 26/36] More cleanup to simply procedures and beat down failures --- src/fragmentation/fragmentation.f90 | 44 ++++++++++++++++------------- 1 file changed, 24 insertions(+), 20 deletions(-) diff --git a/src/fragmentation/fragmentation.f90 b/src/fragmentation/fragmentation.f90 index 5438c0936..6f9f2bfee 100644 --- a/src/fragmentation/fragmentation.f90 +++ b/src/fragmentation/fragmentation.f90 @@ -95,8 +95,10 @@ module subroutine fragmentation_initialize(system, param, family, x, v, L_spin, vc(:, 2) = v(:, 2) - vcom(:) L_orb(:,:) = mxc(:,:) .cross. vc(:,:) - ! Compute orbital angular momentum of pre-impact system. This will be the normal vector to the collision fragment plane - L_frag_budget(:) = L_spin(:, 1) + L_spin(:, 2) + L_orb(:, 1) + L_orb(:, 2) + ! Compute orbital angular momentum of pre-impact system. We'll use this to start the coordinate system, but it will get updated as we divide up the angular momentum + L_frag_orb(:) = L_orb(:, 1) + L_orb(:, 2) + L_frag_spin(:) = L_spin(:, 1) + L_spin(:, 2) + L_frag_budget(:) = L_frag_orb(:) + L_frag_spin(:) call define_coordinate_system() call construct_temporary_system() @@ -124,21 +126,12 @@ module subroutine fragmentation_initialize(system, param, family, x, v, L_spin, ke_frag_budget = -(dEtot - 0.5_DP * mtot * dot_product(vcom(:), vcom(:))) - Qloss call set_fragment_spin(lfailure) - if (lfailure) then ! Too much spin! Try reducing the fraction put into spin and try again - if (f_spin > epsilon(1.0_DP)) then - f_spin = f_spin / 2 - else - f_spin = 0.0_DP - end if - else - call set_fragment_tan_vel(lfailure) - end if + if (.not.lfailure) call set_fragment_tan_vel(lfailure) if (lfailure) then write(*,*) 'Failed to find tangential velocities' ke_avg_deficit = ke_avg_deficit - (ke_frag_orbit + ke_frag_spin) else - !call calculate_system_energy(linclude_fragments=.true.) call set_fragment_radial_velocities(lfailure) if (lfailure) write(*,*) 'Failed to find radial velocities' if (.not.lfailure) then @@ -331,8 +324,8 @@ subroutine define_coordinate_system() ! We will initialize fragments on a plane defined by the pre-impact system, with the z-axis aligned with the angular momentum vector ! and the y-axis aligned with the pre-impact distance vector. - y_col_unit(:) = delta_r(:) / r_col_norm - z_col_unit(:) = L_frag_budget(:) / (.mag. L_frag_budget) + y_col_unit(:) = delta_r(:) / r_col_norm + z_col_unit(:) = (L_frag_budget(:) - L_frag_spin(:)) / (.mag. (L_frag_budget(:) - L_frag_spin(:))) ! The cross product of the y- by z-axis will give us the x-axis x_col_unit(:) = y_col_unit(:) .cross. z_col_unit(:) @@ -682,12 +675,13 @@ subroutine set_fragment_tan_vel(lerr) integer(I4B) :: i real(DP), parameter :: TOL_MIN = 1e-1_DP ! This doesn't have to be very accurate, as we really just want a tangential velocity distribution with less kinetic energy than our initial guess. real(DP), parameter :: TOL_INIT = 1e-14_DP + integer(I4B), parameter :: MAXLOOP = 10 real(DP) :: tol real(DP), dimension(:), allocatable :: v_t_initial real(DP), dimension(nfrag) :: kefrag type(lambda_obj) :: spinfunc type(lambda_obj_err) :: objective_function - real(DP), dimension(NDIM) :: Li + real(DP), dimension(NDIM) :: Li, L_remainder lerr = .false. @@ -716,9 +710,12 @@ subroutine set_fragment_tan_vel(lerr) ! which is embedded in a non-linear minimizer that will adjust the tangential velocities of the remaining i>6 fragments to minimize kinetic energy for a given momentum solution ! The initial conditions fed to the minimizer for the fragments will be the remaining angular momentum distributed between the fragments. call calculate_fragment_ang_mtm() - Li(:) = (L_frag_budget(:) - L_frag_spin(:)) / nfrag - do concurrent (i = 1:nfrag) - v_t_initial(i) = norm2(Li(:)) / (m_frag(i) * norm2(x_frag(:,i))) + call define_coordinate_system() ! Make sure that the tangential velocity components are defined properly + L_remainder(:) = L_frag_budget(:) - L_frag_spin(:) + do i = 1, nfrag + v_t_initial(i) = norm2(L_remainder(:)) / ((nfrag - i + 1) * m_frag(i) * norm2(x_frag(:,i))) + Li(:) = m_frag(i) * (x_frag(:,i) .cross. (v_t_initial(i) * v_t_unit(:, i))) + L_remainder(:) = L_remainder(:) - Li(:) end do ! Find the local kinetic energy minimum for the system that conserves linear and angular momentum @@ -726,7 +723,7 @@ subroutine set_fragment_tan_vel(lerr) tol = TOL_INIT do while(tol < TOL_MIN) - v_t_mag(7:nfrag) = util_minimize_bfgs(objective_function, nfrag-6, v_t_initial(7:nfrag), TOL, lerr) + v_t_mag(7:nfrag) = util_minimize_bfgs(objective_function, nfrag-6, v_t_initial(7:nfrag), tol, MAXLOOP, lerr) ! Now that the KE-minimized values of the i>6 fragments are found, calculate the momentum-conserving solution for tangential velociteis v_t_initial(7:nfrag) = v_t_mag(7:nfrag) if (.not.lerr) exit @@ -850,6 +847,7 @@ subroutine set_fragment_radial_velocities(lerr) ! Internals real(DP), parameter :: TOL_MIN = Etol ! This needs to be more accurate than the tangential step, as we are trying to minimize the total residual energy real(DP), parameter :: TOL_INIT = 1e-12_DP + integer(I4B), parameter :: MAXLOOP = 100 real(DP) :: ke_radial, tol integer(I4B) :: i, j real(DP), dimension(:), allocatable :: v_r_initial, v_r_sigma @@ -871,7 +869,7 @@ subroutine set_fragment_radial_velocities(lerr) objective_function = lambda_obj(radial_objective_function) tol = TOL_INIT do while(tol < TOL_MIN) - v_r_mag = util_minimize_bfgs(objective_function, nfrag, v_r_initial, tol, lerr) + v_r_mag = util_minimize_bfgs(objective_function, nfrag, v_r_initial, tol, MAXLOOP, lerr) if (.not.lerr) exit tol = tol * 2 ! Keep increasing the tolerance until we converge on a solution v_r_initial(:) = v_r_mag(:) @@ -984,6 +982,12 @@ subroutine restructure_failed_fragments() r_max_start_old = r_max_start r_max_start = r_max_start + delta_r ! The larger lever arm can help if the problem is in the angular momentum step + if (f_spin > epsilon(1.0_DP)) then ! Try reducing the fraction in spin + f_spin = f_spin / 2 + else + f_spin = 0.0_DP + end if + return end subroutine restructure_failed_fragments end subroutine fragmentation_initialize From 4767b5ee5afbfe1151e37d4aba26f9dfdcc12bca Mon Sep 17 00:00:00 2001 From: David A Minton Date: Mon, 16 Aug 2021 17:54:54 -0400 Subject: [PATCH 27/36] Fixed restructuring code to do a better job interpolating bad tries to converge on good tries --- src/fragmentation/fragmentation.f90 | 15 ++++++++------- 1 file changed, 8 insertions(+), 7 deletions(-) diff --git a/src/fragmentation/fragmentation.f90 b/src/fragmentation/fragmentation.f90 index 6f9f2bfee..169c42e2c 100644 --- a/src/fragmentation/fragmentation.f90 +++ b/src/fragmentation/fragmentation.f90 @@ -35,7 +35,7 @@ module subroutine fragmentation_initialize(system, param, family, x, v, L_spin, real(DP) :: Etot_before, ke_orbit_before, ke_spin_before, pe_before, Lmag_before real(DP) :: Etot_after, ke_orbit_after, ke_spin_after, pe_after, Lmag_after, dEtot, dLmag real(DP), dimension(NDIM) :: L_frag_tot, L_frag_orb, L_frag_spin, L_frag_budget, Lorbit_before, Lorbit_after, Lspin_before, Lspin_after, dL - real(DP) :: ke_frag_budget, ke_frag_orbit, ke_frag_spin, ke_avg_deficit, ke_avg_deficit_old + real(DP) :: ke_frag_budget, ke_frag_orbit, ke_frag_spin, ke_tot_deficit, ke_avg_deficit, ke_avg_deficit_old real(DP), dimension(NDIM) :: x_col_unit, y_col_unit, z_col_unit character(len=*), parameter :: fmtlabel = "(A14,10(ES11.4,1X,:))" integer(I4B) :: try @@ -58,11 +58,8 @@ module subroutine fragmentation_initialize(system, param, family, x, v, L_spin, fpe_quiet_modes(:) = .false. call ieee_set_halting_mode(IEEE_ALL,fpe_quiet_modes) - f_spin = 0.05_DP - allocate(x_frag, source=xb_frag) allocate(v_frag, source=vb_frag) - allocate(rmag(nfrag)) allocate(rotmag(nfrag)) allocate(v_r_mag(nfrag)) @@ -99,6 +96,7 @@ module subroutine fragmentation_initialize(system, param, family, x, v, L_spin, L_frag_orb(:) = L_orb(:, 1) + L_orb(:, 2) L_frag_spin(:) = L_spin(:, 1) + L_spin(:, 2) L_frag_budget(:) = L_frag_orb(:) + L_frag_spin(:) + f_spin = norm2(L_frag_spin(:)) / norm2(L_frag_budget(:)) call define_coordinate_system() call construct_temporary_system() @@ -109,7 +107,7 @@ module subroutine fragmentation_initialize(system, param, family, x, v, L_spin, r_max_start = 1 * norm2(x(:,2) - x(:,1)) try = 1 lfailure = .false. - ke_avg_deficit = 0.0_DP + ke_tot_deficit = 0.0_DP do while (try < MAXTRY) lfailure = .false. call reset_fragments() @@ -130,7 +128,7 @@ module subroutine fragmentation_initialize(system, param, family, x, v, L_spin, if (lfailure) then write(*,*) 'Failed to find tangential velocities' - ke_avg_deficit = ke_avg_deficit - (ke_frag_orbit + ke_frag_spin) + else call set_fragment_radial_velocities(lfailure) if (lfailure) write(*,*) 'Failed to find radial velocities' @@ -969,10 +967,12 @@ subroutine restructure_failed_fragments() real(DP) :: delta_r, delta_r_max real(DP), parameter :: ke_avg_deficit_target = 0.0_DP + ke_tot_deficit = ke_tot_deficit - (ke_frag_budget - ke_frag_orbit - ke_frag_spin) + ke_avg_deficit = ke_tot_deficit / try ! Introduce a bit of noise in the radius determination so we don't just flip flop between similar failed positions call random_number(delta_r_max) delta_r_max = sum(radius(:)) * (1.0_DP + 2e-1_DP * (delta_r_max - 0.5_DP)) - if (try > 2) then + if (try > 1) then ! Linearly interpolate the last two failed solution ke deficits to find a new distance value to try delta_r = (r_max_start - r_max_start_old) * (ke_avg_deficit_target - ke_avg_deficit_old) / (ke_avg_deficit - ke_avg_deficit_old) if (abs(delta_r) > delta_r_max) delta_r = sign(delta_r_max, delta_r) @@ -981,6 +981,7 @@ subroutine restructure_failed_fragments() end if r_max_start_old = r_max_start r_max_start = r_max_start + delta_r ! The larger lever arm can help if the problem is in the angular momentum step + ke_avg_deficit_old = ke_avg_deficit if (f_spin > epsilon(1.0_DP)) then ! Try reducing the fraction in spin f_spin = f_spin / 2 From dc4a86aeb3ff2cb534841a0a5906fd95f748a67f Mon Sep 17 00:00:00 2001 From: David A Minton Date: Mon, 16 Aug 2021 17:59:32 -0400 Subject: [PATCH 28/36] Removed intermediate diagnostics and re-wrote the BFGS minimizer to accept maxloop as an argument --- src/fragmentation/fragmentation.f90 | 37 ++++++++++++++--------------- src/modules/swiftest_classes.f90 | 5 ++-- src/util/util_minimize_bfgs.f90 | 15 ++++++------ 3 files changed, 29 insertions(+), 28 deletions(-) diff --git a/src/fragmentation/fragmentation.f90 b/src/fragmentation/fragmentation.f90 index 169c42e2c..b4d2eef1c 100644 --- a/src/fragmentation/fragmentation.f90 +++ b/src/fragmentation/fragmentation.f90 @@ -127,18 +127,17 @@ module subroutine fragmentation_initialize(system, param, family, x, v, L_spin, if (.not.lfailure) call set_fragment_tan_vel(lfailure) if (lfailure) then - write(*,*) 'Failed to find tangential velocities' - + !write(*,*) 'Failed to find tangential velocities' else call set_fragment_radial_velocities(lfailure) - if (lfailure) write(*,*) 'Failed to find radial velocities' + !if (lfailure) write(*,*) 'Failed to find radial velocities' if (.not.lfailure) then call calculate_system_energy(linclude_fragments=.true.) if ((abs(dEtot + Qloss) > Etol) .or. (dEtot > 0.0_DP)) then - write(*,*) 'Failed due to high energy error: ',dEtot, abs(dEtot + Qloss) / Etol + !write(*,*) 'Failed due to high energy error: ',dEtot, abs(dEtot + Qloss) / Etol lfailure = .true. else if (abs(dLmag) / Lmag_before > Ltol) then - write(*,*) 'Failed due to high angular momentum error: ', dLmag / Lmag_before + !write(*,*) 'Failed due to high angular momentum error: ', dLmag / Lmag_before lfailure = .true. end if end if @@ -744,14 +743,14 @@ subroutine set_fragment_tan_vel(lerr) ! If we are over the energy budget, flag this as a failure so we can try again lerr = ((ke_frag_budget - ke_frag_spin - ke_frag_orbit) < 0.0_DP) - write(*,*) 'Tangential' - write(*,*) 'Failure? ',lerr - call calculate_fragment_ang_mtm() - write(*,*) '|L_remainder| : ',.mag.(L_frag_budget(:) - L_frag_tot(:)) / Lmag_before - write(*,*) 'ke_frag_budget: ',ke_frag_budget - write(*,*) 'ke_frag_spin : ',ke_frag_spin - write(*,*) 'ke_tangential : ',ke_frag_orbit - write(*,*) 'ke_radial : ',ke_frag_budget - ke_frag_spin - ke_frag_orbit + ! write(*,*) 'Tangential' + ! write(*,*) 'Failure? ',lerr + ! call calculate_fragment_ang_mtm() + ! write(*,*) '|L_remainder| : ',.mag.(L_frag_budget(:) - L_frag_tot(:)) / Lmag_before + ! write(*,*) 'ke_frag_budget: ',ke_frag_budget + ! write(*,*) 'ke_frag_spin : ',ke_frag_spin + ! write(*,*) 'ke_tangential : ',ke_frag_orbit + ! write(*,*) 'ke_radial : ',ke_frag_budget - ke_frag_spin - ke_frag_orbit return end subroutine set_fragment_tan_vel @@ -882,12 +881,12 @@ subroutine set_fragment_radial_velocities(lerr) end do ke_frag_orbit = 0.5_DP * ke_frag_orbit - write(*,*) 'Radial' - write(*,*) 'Failure? ',lerr - write(*,*) 'ke_frag_budget: ',ke_frag_budget - write(*,*) 'ke_frag_spin : ',ke_frag_spin - write(*,*) 'ke_frag_orbit : ',ke_frag_orbit - write(*,*) 'ke_remainder : ',ke_frag_budget - (ke_frag_orbit + ke_frag_spin) + ! write(*,*) 'Radial' + ! write(*,*) 'Failure? ',lerr + ! write(*,*) 'ke_frag_budget: ',ke_frag_budget + ! write(*,*) 'ke_frag_spin : ',ke_frag_spin + ! write(*,*) 'ke_frag_orbit : ',ke_frag_orbit + ! write(*,*) 'ke_remainder : ',ke_frag_budget - (ke_frag_orbit + ke_frag_spin) lerr = .false. return diff --git a/src/modules/swiftest_classes.f90 b/src/modules/swiftest_classes.f90 index ee2521916..686959d87 100644 --- a/src/modules/swiftest_classes.f90 +++ b/src/modules/swiftest_classes.f90 @@ -1014,7 +1014,7 @@ module subroutine util_rescale_system(self, param, mscale, dscale, tscale) real(DP), intent(in) :: mscale, dscale, tscale !! Scale factors for mass, distance, and time units, respectively. end subroutine util_rescale_system - module function util_minimize_bfgs(f, N, x0, eps, lerr) result(x1) + module function util_minimize_bfgs(f, N, x0, eps, maxloop, lerr) result(x1) use lambda_function implicit none integer(I4B), intent(in) :: N @@ -1022,7 +1022,8 @@ module function util_minimize_bfgs(f, N, x0, eps, lerr) result(x1) real(DP), dimension(:), intent(in) :: x0 real(DP), intent(in) :: eps logical, intent(out) :: lerr - real(DP), dimension(:), allocatable :: x1 + integer(I4B), intent(in) :: maxloop + real(DP), dimension(:), allocatable :: x1 end function util_minimize_bfgs module subroutine util_peri_tp(self, system, param) diff --git a/src/util/util_minimize_bfgs.f90 b/src/util/util_minimize_bfgs.f90 index 9a0e4e12e..01b57d868 100644 --- a/src/util/util_minimize_bfgs.f90 +++ b/src/util/util_minimize_bfgs.f90 @@ -1,15 +1,16 @@ submodule (swiftest_classes) s_util_minimize_bfgs use swiftest contains - module function util_minimize_bfgs(f, N, x0, eps, lerr) result(x1) + module function util_minimize_bfgs(f, N, x0, eps, maxloop, lerr) result(x1) !! author: David A. Minton !! - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - !! This function implements the Broyden-Fletcher-Goldfarb-Shanno method to determine the minimum of a function of N variables. !! It recieves as input: !! f%eval(x) : lambda function object containing the objective function as the eval metho - !! N : Number of variables of function f - !! x0 : Initial starting value of x - !! eps : Accuracy of 1 - dimensional minimization at each step + !! N : Number of variables of function f + !! x0 : Initial starting value of x + !! eps : Accuracy of 1 - dimensional minimization at each step + !! maxloop : Maximum number of loops to attempt to find a solution !! The outputs include !! lerr : Returns .true. if it could not find the minimum !! Returns @@ -23,12 +24,12 @@ module function util_minimize_bfgs(f, N, x0, eps, lerr) result(x1) class(lambda_obj), intent(inout) :: f real(DP), dimension(:), intent(in) :: x0 real(DP), intent(in) :: eps + integer(I4B), intent(in) :: maxloop logical, intent(out) :: lerr ! Result real(DP), dimension(:), allocatable :: x1 ! Internals integer(I4B) :: i, j, k, l, conv, num - integer(I4B), parameter :: MAXLOOP = 100 !! Maximum number of loops before method is determined to have failed real(DP), parameter :: graddelta = 1e-4_DP !! Delta x for gradient calculations real(DP), dimension(N) :: S !! Direction vectors real(DP), dimension(N,N) :: H !! Approximated inverse Hessian matrix @@ -56,7 +57,7 @@ module function util_minimize_bfgs(f, N, x0, eps, lerr) result(x1) return end if grad1(:) = grad0(:) - do i = 1, MAXLOOP + do i = 1, maxloop !check for convergence conv = count(abs(grad1(:)) > eps) ! write(*,*) 'loop: ', i @@ -114,7 +115,7 @@ module function util_minimize_bfgs(f, N, x0, eps, lerr) result(x1) ! Stop everything if there are any exceptions to allow the routine to fail gracefully call ieee_get_flag(ieee_usual, fpe_flag) if (any(fpe_flag)) exit - if (i == MAXLOOP) then + if (i == maxloop) then lerr = .true. ! write(*,*) "BFGS ran out of loops!" end if From f9af5d7c7bcd34b5f9dbb9d9b20a382d2d643f04 Mon Sep 17 00:00:00 2001 From: David A Minton Date: Mon, 16 Aug 2021 18:15:50 -0400 Subject: [PATCH 29/36] Added coordinate transform step before resolving collisions to get all the coordinates consistenent between barycentric and heliocentric before starting the fragment code --- src/symba/symba_collision.f90 | 2 ++ 1 file changed, 2 insertions(+) diff --git a/src/symba/symba_collision.f90 b/src/symba/symba_collision.f90 index 80a9550bb..2e4d50b58 100644 --- a/src/symba/symba_collision.f90 +++ b/src/symba/symba_collision.f90 @@ -1083,6 +1083,8 @@ module subroutine symba_collision_resolve_plplenc(self, system, param, t) if (plplcollision_list%nenc == 0) return ! No collisions to resolve write(*, *) "Collision between massive bodies detected at time t = ", t + call pl%vb2vh(system%cb) + call pl%h2b(system%cb) if (param%lfragmentation) then call plplcollision_list%resolve_fragmentations(system, param) else From b9d815ee484d635eb1584489857083e61953408f Mon Sep 17 00:00:00 2001 From: David A Minton Date: Mon, 16 Aug 2021 19:14:40 -0400 Subject: [PATCH 30/36] Fixed energy term in the merger case --- src/symba/symba_collision.f90 | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/symba/symba_collision.f90 b/src/symba/symba_collision.f90 index 2e4d50b58..05ac54fd4 100644 --- a/src/symba/symba_collision.f90 +++ b/src/symba/symba_collision.f90 @@ -277,7 +277,7 @@ module function symba_collision_casemerge(system, param, family, x, v, mass, rad pe = 0.0_DP do j = 1, nfamily do i = j + 1, nfamily - pe = pe - pl%mass(i) * pl%mass(j) / norm2(pl%xb(:, i) - pl%xb(:, j)) + pe = pe - pl%Gmass(i) * pl%mass(j) / norm2(pl%xb(:, i) - pl%xb(:, j)) end do end do system%Ecollisions = system%Ecollisions + pe From 412c1dda627035d19a13773c852045570e39df9d Mon Sep 17 00:00:00 2001 From: David A Minton Date: Mon, 16 Aug 2021 19:19:22 -0400 Subject: [PATCH 31/36] Removed spurious coordinate system transform. x and v are already barycentric. --- src/symba/symba_collision.f90 | 8 -------- 1 file changed, 8 deletions(-) diff --git a/src/symba/symba_collision.f90 b/src/symba/symba_collision.f90 index 05ac54fd4..0aec3a1be 100644 --- a/src/symba/symba_collision.f90 +++ b/src/symba/symba_collision.f90 @@ -957,10 +957,6 @@ module subroutine symba_collision_resolve_fragmentations(self, system, param) if (.not. lgoodcollision) cycle if (any(pl%status(idx_parent(:)) /= COLLISION)) cycle ! One of these two bodies has already been resolved - ! Convert from DH to barycentric - x(:,1) = x(:,1) + cb%xb(:) - x(:,2) = x(:,2) + cb%xb(:) - ! Convert all quantities to SI units and determine which of the pair is the projectile vs. target before sending them ! to symba_regime if (mass(1) > mass(2)) then @@ -1047,10 +1043,6 @@ module subroutine symba_collision_resolve_mergers(self, system, param) if (.not. lgoodcollision) cycle if (any(pl%status(idx_parent(:)) /= COLLISION)) cycle ! One of these two bodies has already been resolved - ! Convert from DH to barycentric - x(:,1) = x(:,1) + cb%xb(:) - x(:,2) = x(:,2) + cb%xb(:) - status = symba_collision_casemerge(system, param, family, x, v, mass, radius, L_spin, Ip) end do end select From 3b7603f1d9ac364deadee735e44ae502e6ce455a Mon Sep 17 00:00:00 2001 From: David A Minton Date: Mon, 16 Aug 2021 19:36:30 -0400 Subject: [PATCH 32/36] Added in xh2xb coordinate transform method --- src/modules/swiftest_classes.f90 | 7 +++++++ src/symba/symba_collision.f90 | 2 +- src/util/util_coord.f90 | 36 ++++++++++++++++++++++++++++++++ 3 files changed, 44 insertions(+), 1 deletion(-) diff --git a/src/modules/swiftest_classes.f90 b/src/modules/swiftest_classes.f90 index 686959d87..4cf180e84 100644 --- a/src/modules/swiftest_classes.f90 +++ b/src/modules/swiftest_classes.f90 @@ -226,6 +226,7 @@ module swiftest_classes procedure :: append => util_append_pl !! Appends elements from one structure to another procedure :: h2b => util_coord_h2b_pl !! Convert massive bodies from heliocentric to barycentric coordinates (position and velocity) procedure :: b2h => util_coord_b2h_pl !! Convert massive bodies from barycentric to heliocentric coordinates (position and velocity) + procedure :: xh2xb => util_coord_xh2xb_pl !! Convert position vectors of massive bodies from heliocentric to barycentric coordinates (position and velocity) procedure :: fill => util_fill_pl !! "Fills" bodies from one object into another depending on the results of a mask (uses the UNPACK intrinsic) procedure :: resize => util_resize_pl !! Checks the current size of a Swiftest body against the requested size and resizes it if it is too small. procedure :: set_beg_end => util_set_beg_end_pl !! Sets the beginning and ending positions and velocities of planets. @@ -936,6 +937,12 @@ module subroutine util_coord_h2b_tp(self, cb) class(swiftest_cb), intent(in) :: cb !! Swiftest central body object end subroutine util_coord_h2b_tp + module subroutine util_coord_xh2xb_pl(self, cb) + implicit none + class(swiftest_pl), intent(inout) :: self !! Swiftest massive body object + class(swiftest_cb), intent(inout) :: cb !! Swiftest central body object + end subroutine util_coord_xh2xb_pl + module subroutine util_copy_encounter(self, source) implicit none class(swiftest_encounter), intent(inout) :: self !! Encounter list diff --git a/src/symba/symba_collision.f90 b/src/symba/symba_collision.f90 index 0aec3a1be..5ccbcf993 100644 --- a/src/symba/symba_collision.f90 +++ b/src/symba/symba_collision.f90 @@ -1076,7 +1076,7 @@ module subroutine symba_collision_resolve_plplenc(self, system, param, t) write(*, *) "Collision between massive bodies detected at time t = ", t call pl%vb2vh(system%cb) - call pl%h2b(system%cb) + call pl%xh2xb(system%cb) if (param%lfragmentation) then call plplcollision_list%resolve_fragmentations(system, param) else diff --git a/src/util/util_coord.f90 b/src/util/util_coord.f90 index 2a970d0dc..4daad0e53 100644 --- a/src/util/util_coord.f90 +++ b/src/util/util_coord.f90 @@ -42,6 +42,42 @@ module subroutine util_coord_h2b_pl(self, cb) end subroutine util_coord_h2b_pl + module subroutine util_coord_xh2xb_pl(self, cb) + !! author: David A. Minton + !! + !! Convert position vectors of massive bodies from heliocentric to barycentric coordinates (position and velocity) + !! + !! Adapted from David E. Kaufmann's Swifter routine coord_h2b.f90 + !! Adapted from Hal Levison's Swift routine coord_h2b.f + implicit none + ! Arguments + class(swiftest_pl), intent(inout) :: self !! Swiftest massive body object + class(swiftest_cb), intent(inout) :: cb !! Swiftest central body object + ! Internals + integer(I4B) :: i + real(DP) :: Gmtot + real(DP), dimension(NDIM) :: xtmp + + if (self%nbody == 0) return + associate(pl => self, npl => self%nbody) + Gmtot = cb%Gmass + xtmp(:) = 0.0_DP + do i = 1, npl + if (pl%status(i) == INACTIVE) cycle + Gmtot = Gmtot + pl%Gmass(i) + xtmp(:) = xtmp(:) + pl%Gmass(i) * pl%xh(:,i) + end do + cb%xb(:) = -xtmp(:) / Gmtot + do i = 1, npl + if (pl%status(i) == INACTIVE) cycle + pl%xb(:,i) = pl%xh(:,i) + cb%xb(:) + end do + end associate + + return + end subroutine util_coord_xh2xb_pl + + module subroutine util_coord_h2b_tp(self, cb) !! author: David A. Minton !! From 4e951abf8a4434712851d31188bd2d6505676040 Mon Sep 17 00:00:00 2001 From: David A Minton Date: Mon, 16 Aug 2021 19:54:59 -0400 Subject: [PATCH 33/36] Added a xh2xb call before saving collisional position vectors --- src/symba/symba_collision.f90 | 1 + 1 file changed, 1 insertion(+) diff --git a/src/symba/symba_collision.f90 b/src/symba/symba_collision.f90 index 5ccbcf993..f1f42d3cf 100644 --- a/src/symba/symba_collision.f90 +++ b/src/symba/symba_collision.f90 @@ -451,6 +451,7 @@ module function symba_collision_check_encounter(self, system, param, t, dt, irec end do end if + if (any(lcollision(1:nenc))) call pl%xh2xb(system%cb) ! Update the central body barycenteric position vector to get us out of DH and into bary do k = 1, nenc if (lcollision(k)) self%status(k) = COLLISION self%t(k) = t From a0fc17ce1a8d488c89330fd27e2fac0ee906cc31 Mon Sep 17 00:00:00 2001 From: David A Minton Date: Mon, 16 Aug 2021 20:15:44 -0400 Subject: [PATCH 34/36] Put back overlap check in acceleration calculation --- src/symba/symba_kick.f90 | 13 ++++++++----- 1 file changed, 8 insertions(+), 5 deletions(-) diff --git a/src/symba/symba_kick.f90 b/src/symba/symba_kick.f90 index c1de5a077..ccf56e039 100644 --- a/src/symba/symba_kick.f90 +++ b/src/symba/symba_kick.f90 @@ -31,11 +31,14 @@ module subroutine symba_kick_getacch_pl(self, system, param, t, lbeg) associate(i => plplenc_list%index1(k), j => plplenc_list%index2(k)) dx(:) = pl%xh(:, j) - pl%xh(:, i) rji2 = dot_product(dx(:), dx(:)) - irij3 = 1.0_DP / (rji2 * sqrt(rji2)) - faci = pl%Gmass(i) * irij3 - facj = pl%Gmass(j) * irij3 - pl%ah(:, i) = pl%ah(:, i) - facj * dx(:) - pl%ah(:, j) = pl%ah(:, j) + faci * dx(:) + rlim2 = (pl%radius(i) + pl%radius(j))**2 + if (rji2 > rlim2) then + irij3 = 1.0_DP / (rji2 * sqrt(rji2)) + faci = pl%Gmass(i) * irij3 + facj = pl%Gmass(j) * irij3 + pl%ah(:, i) = pl%ah(:, i) - facj * dx(:) + pl%ah(:, j) = pl%ah(:, j) + faci * dx(:) + end if end associate end do end associate From 44dbbfdd713e9948158cc7751cc9b3cec8de8bf0 Mon Sep 17 00:00:00 2001 From: David A Minton Date: Mon, 16 Aug 2021 23:07:42 -0400 Subject: [PATCH 35/36] Restored tighter E tolerance value --- src/fragmentation/fragmentation.f90 | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/src/fragmentation/fragmentation.f90 b/src/fragmentation/fragmentation.f90 index b4d2eef1c..c9939d7db 100644 --- a/src/fragmentation/fragmentation.f90 +++ b/src/fragmentation/fragmentation.f90 @@ -42,7 +42,7 @@ module subroutine fragmentation_initialize(system, param, family, x, v, L_spin, integer(I4B), parameter :: NFRAG_MIN = 7 !! The minimum allowable number of fragments (set to 6 because that's how many unknowns are needed in the tangential velocity calculation) real(DP) :: r_max_start, r_max_start_old, r_max, f_spin real(DP), parameter :: Ltol = 10 * epsilon(1.0_DP) - real(DP), parameter :: Etol = 1e-6_DP + real(DP), parameter :: Etol = 1e-10_DP integer(I4B), parameter :: MAXTRY = 3000 logical, dimension(size(IEEE_ALL)) :: fpe_halting_modes, fpe_quiet_modes class(swiftest_nbody_system), allocatable :: tmpsys @@ -843,7 +843,7 @@ subroutine set_fragment_radial_velocities(lerr) logical, intent(out) :: lerr ! Internals real(DP), parameter :: TOL_MIN = Etol ! This needs to be more accurate than the tangential step, as we are trying to minimize the total residual energy - real(DP), parameter :: TOL_INIT = 1e-12_DP + real(DP), parameter :: TOL_INIT = 1e-14_DP integer(I4B), parameter :: MAXLOOP = 100 real(DP) :: ke_radial, tol integer(I4B) :: i, j From d44b4529459b5444bb2f7f61a6814760eeb9b7f3 Mon Sep 17 00:00:00 2001 From: David A Minton Date: Tue, 17 Aug 2021 07:45:51 -0400 Subject: [PATCH 36/36] Fixed the conservation report so that the header is printed only on the first call --- src/io/io.f90 | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/io/io.f90 b/src/io/io.f90 index 933bcbdfb..7b7468976 100644 --- a/src/io/io.f90 +++ b/src/io/io.f90 @@ -35,9 +35,9 @@ module subroutine io_conservation_report(self, param, lterminal) if (param%energy_out /= "") then if (lfirst .and. (param%out_stat /= "OLD")) then open(unit = EGYIU, file = param%energy_out, form = "formatted", status = "replace", action = "write", err = 667, iomsg = errmsg) + write(EGYIU,EGYHEADER, err = 667, iomsg = errmsg) else open(unit = EGYIU, file = param%energy_out, form = "formatted", status = "old", action = "write", position = "append", err = 667, iomsg = errmsg) - write(EGYIU,EGYHEADER, err = 667, iomsg = errmsg) end if end if call pl%h2b(cb)