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lammps
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4526 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2010-08-19 19:39:58 +00:00
parent 92209c7adf
commit 41d9b859e4
1 changed files with 15 additions and 12 deletions
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27
src/finish.cpp
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@ -30,6 +30,9 @@
using namespace LAMMPS_NS;
#define MIN(A,B) ((A) < (B)) ? (A) : (B)
#define MAX(A,B) ((A) > (B)) ? (A) : (B)
/* ---------------------------------------------------------------------- */
Finish::Finish(LAMMPS *lmp) : Pointers(lmp) {}
@ -38,7 +41,7 @@ Finish::Finish(LAMMPS *lmp) : Pointers(lmp) {}
void Finish::end(int flag)
{
int i,m,nneigh;
int i,m,nneigh,nneighfull;
int histo[10];
int loopflag,minflag,prdflag,timeflag,fftflag,histoflag,neighflag;
double time,tmp,ave,max,min,natoms;
@ -407,16 +410,16 @@ void Finish::end(int flag)
neighbor->old_requests[m]->gran ||
neighbor->old_requests[m]->respaouter ||
neighbor->old_requests[m]->half_from_full) &&
neighbor->old_requests[m]->skip == 0) break;
neighbor->old_requests[m]->skip == 0 &&
neighbor->lists[m]->numneigh) break;
nneigh = 0;
if (m < neighbor->old_nrequest) {
int inum = neighbor->lists[m]->inum;
int *ilist = neighbor->lists[m]->ilist;
int *numneigh = neighbor->lists[m]->numneigh;
if (numneigh)
for (i = 0; i < inum; i++)
nneigh += numneigh[ilist[i]];
for (i = 0; i < inum; i++)
nneigh += numneigh[ilist[i]];
}
tmp = nneigh;
@ -440,18 +443,18 @@ void Finish::end(int flag)
for (m = 0; m < neighbor->old_nrequest; m++)
if (neighbor->old_requests[m]->full &&
neighbor->old_requests[m]->skip == 0) break;
neighbor->old_requests[m]->skip == 0 &&
neighbor->lists[m]->numneigh) break;
nneighfull = 0;
if (m < neighbor->old_nrequest) {
nneigh = 0;
int inum = neighbor->lists[m]->inum;
int *ilist = neighbor->lists[m]->ilist;
int *numneigh = neighbor->lists[m]->numneigh;
if (numneigh)
for (i = 0; i < inum; i++)
nneigh += numneigh[ilist[i]];
for (i = 0; i < inum; i++)
nneighfull += numneigh[ilist[i]];
tmp = nneigh;
tmp = nneighfull;
stats(1,&tmp,&ave,&max,&min,10,histo);
if (me == 0) {
if (screen) {
@ -476,7 +479,7 @@ void Finish::end(int flag)
if (logfile) fprintf(logfile,"\n");
}
tmp = nneigh;
tmp = MAX(nneigh,nneighfull);
double nall;
MPI_Allreduce(&tmp,&nall,1,MPI_DOUBLE,MPI_SUM,world);