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fix memory buffer size issue when using dump_modify image for dump style atom

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This commit is contained in:
Axel Kohlmeyer
2022-09-10 04:54:37 -04:00
parent b3faffd32d
commit f36c900b6d
1 changed files with 12 additions and 11 deletions
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23
src/dump.cpp
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@ -373,12 +373,12 @@ 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
@ -467,7 +467,7 @@ 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);
@ -749,10 +749,10 @@ 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
@ -933,12 +933,12 @@ 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");
double *buf_balance;
memory->create(buf_balance,maxbuf,"dump:buf_balance");
// compute from which procs I am receiving atoms
// post recvs first
@ -1221,6 +1221,7 @@ void Dump::modify_params(int narg, char **arg)
fileidx = 0;
}
iarg += 2;
} else if (strcmp(arg[iarg],"nfile") == 0) {
if (iarg+2 > narg) utils::missing_cmd_args(FLERR, "dump_modify nfile", error);
if (!multiproc)
@ -1329,7 +1330,7 @@ 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);