--- trunk/mdtools/md_code/lj_FF.F90 2003/01/30 20:03:37 254 +++ trunk/mdtools/md_code/lj_FF.F90 2003/01/30 22:29:37 258 @@ -2,7 +2,7 @@ !! Corresponds to the force field defined in lj_FF.cpp !! @author Charles F. Vardeman II !! @author Matthew Meineke -!! @version $Id: lj_FF.F90,v 1.14 2003-01-30 20:03:36 chuckv Exp $, $Date: 2003-01-30 20:03:36 $, $Name: not supported by cvs2svn $, $Revision: 1.14 $ +!! @version $Id: lj_FF.F90,v 1.15 2003-01-30 22:29:37 chuckv Exp $, $Date: 2003-01-30 22:29:37 $, $Name: not supported by cvs2svn $, $Revision: 1.15 $ @@ -133,8 +133,8 @@ contains status = 0 + - !! if were're not in MPI, we just update ljatypePtrList #ifndef IS_MPI call create_IdentPtrlst(ident,ljListHead,identPtrList,thisStat) @@ -167,6 +167,7 @@ contains endif nrow = getNrow(plan_row) ncol = getNcol(plan_col) + !! Allocate temperary arrays to hold gather information allocate(identRow(nrow),stat=alloc_stat) if (alloc_stat /= 0 ) then @@ -184,8 +185,8 @@ contains call gather(ident,identRow,plan_row) call gather(ident,identCol,plan_col) + - !! Create row and col pointer lists call create_IdentPtrlst(identRow,ljListHead,identPtrListRow,thisStat) @@ -199,11 +200,14 @@ contains status = -1 return endif - + write(*,*) "After createIdent row-col lists" !! free temporary ident arrays - deallocate(identCol) - deallocate(identRow) - + if (allocated(identCol)) then + deallocate(identCol) + end if + if (allocated(identCol)) then + deallocate(identRow) + endif !! Allocate neighbor lists for mpi simulations. if (.not. allocated(point)) then