diff --git a/Makefile.Defines b/Makefile.Defines index 9fe6c3cbb..291f2c604 100644 --- a/Makefile.Defines +++ b/Makefile.Defines @@ -70,8 +70,8 @@ FFLAGS = $(IDEBUG) $(HEAPARR) FORTRAN = ifort #AR = xiar -FORTRAN = gfortran -FFLAGS = -ffree-line-length-none $(GDEBUG) $(GMEM) +#FORTRAN = gfortran +#FFLAGS = -ffree-line-length-none $(GDEBUG) $(GMEM) AR = ar # DO NOT include in CFLAGS the "-c" option to compile object only diff --git a/src/fragmentation/fragmentation.f90 b/src/fragmentation/fragmentation.f90 index 99daff3b7..ad28edf6c 100644 --- a/src/fragmentation/fragmentation.f90 +++ b/src/fragmentation/fragmentation.f90 @@ -336,15 +336,11 @@ subroutine calculate_system_energy(linclude_fragments) call setup_construct_system(tmpsys, param) deallocate(tmpsys%cb) allocate(tmpsys%cb, source=cb) - allocate(ltmp, mold=pl%ldiscard) + allocate(ltmp(npl_new)) ltmp(:) = .false. ltmp(1:npl) = .true. - write(*,*) 'npl : ',npl - write(*,*) 'npl_new: ',npl_new - write(*,*) 'ltmp: ',ltmp call tmpsys%pl%setup(npl_new, param) call tmpsys%pl%fill(pl, ltmp) - deallocate(ltmp) if (linclude_fragments) then ! Append the fragments if they are included ! Energy calculation requires the fragments to be in the system barcyentric frame, s @@ -359,7 +355,6 @@ subroutine calculate_system_energy(linclude_fragments) tmpsys%pl%rot(:,npl+1:npl_new) = rot_frag(:,1:nfrag) end if call tmpsys%pl%b2h(tmpsys%cb) - allocate(ltmp(npl_new)) ltmp(1:npl) = lexclude(1:npl) ltmp(npl+1:npl_new) = .false. call move_alloc(ltmp, lexclude)