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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7686 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2012-02-03 20:03:29 +00:00
parent 301e696b5e
commit 7fb5f449e4
7 changed files with 257 additions and 131 deletions
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8
src/finish.cpp
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@ -50,6 +50,11 @@ void Finish::end(int flag)
MPI_Comm_rank(world,&me);
MPI_Comm_size(world,&nprocs);
// recompute natoms in case atoms have been lost
bigint nblocal = atom->nlocal;
MPI_Allreduce(&nblocal,&atom->nlocal,1,MPI_LMP_BIGINT,MPI_SUM,world);
// choose flavors of statistical output
// flag determines caller
// flag = 0 = just loop summary
@ -591,7 +596,8 @@ void Finish::end(int flag)
double nspec_all;
if (atom->molecular) {
nspec = 0;
for (i = 0; i < atom->nlocal; i++) nspec += atom->nspecial[i][2];
int nlocal = atom->nlocal;
for (i = 0; i < nlocal; i++) nspec += atom->nspecial[i][2];
tmp = nspec;
MPI_Allreduce(&tmp,&nspec_all,1,MPI_DOUBLE,MPI_SUM,world);
}