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correctly compute communication buffers also for the case that size_one changes

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This commit is contained in:
Axel Kohlmeyer
2022-09-09 18:44:07 -04:00
parent 6898ead5b7
commit 9e7df0f8e1
1 changed files with 10 additions and 10 deletions
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20
src/dump.cpp
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@ -398,12 +398,12 @@ void Dump::write()
// use nmax to insure filewriter proc can receive info from others
// limit nmax*size_one to int since used as arg in MPI calls
if (nmax > maxbuf) {
if (nmax*size_one > maxbuf) {
if ((bigint) nmax * size_one > MAXSMALLINT)
error->all(FLERR,"Too much per-proc info for dump");
maxbuf = nmax;
maxbuf = nmax * size_one;
memory->destroy(buf);
memory->create(buf,maxbuf*size_one,"dump:buf");
memory->create(buf,maxbuf,"dump:buf");
}
// insure ids buffer is sized for sorting
@ -492,7 +492,7 @@ void Dump::write()
if (filewriter) {
for (int iproc = 0; iproc < nclusterprocs; iproc++) {
if (iproc) {
MPI_Irecv(buf,maxbuf*size_one,MPI_DOUBLE,me+iproc,0,world,&request);
MPI_Irecv(buf,maxbuf,MPI_DOUBLE,me+iproc,0,world,&request);
MPI_Send(&tmp,0,MPI_INT,me+iproc,0,world);
MPI_Wait(&request,&status);
MPI_Get_count(&status,MPI_DOUBLE,&nlines);
@ -774,10 +774,10 @@ void Dump::sort()
int nmax;
MPI_Allreduce(&nme,&nmax,1,MPI_INT,MPI_MAX,world);
if (nmax > maxbuf) {
maxbuf = nmax;
if (nmax*size_one > maxbuf) {
maxbuf = nmax * size_one;
memory->destroy(buf);
memory->create(buf,maxbuf*size_one,"dump:buf");
memory->create(buf,maxbuf,"dump:buf");
}
// copy data from bufsort to buf using index
@ -958,12 +958,12 @@ void Dump::balance()
int nmax;
MPI_Allreduce(&nme_balance,&nmax,1,MPI_INT,MPI_MAX,world);
if (nmax > maxbuf) maxbuf = nmax;
if (nmax*size_one > maxbuf) maxbuf = nmax*size_one;
// allocate a second buffer for balanced data
double* buf_balance;
memory->create(buf_balance,maxbuf*size_one,"dump:buf_balance");
memory->create(buf_balance,maxbuf,"dump:buf_balance");
// compute from which procs I am receiving atoms
// post recvs first
@ -1370,7 +1370,7 @@ void Dump::pbc_allocate()
double Dump::memory_usage()
{
double bytes = memory->usage(buf,size_one*maxbuf);
double bytes = memory->usage(buf,maxbuf);
bytes += memory->usage(sbuf,maxsbuf);
if (sort_flag) {
if (sortcol == 0) bytes += memory->usage(ids,maxids);