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use tagint instead of int when communicating atom ids

This commit is contained in:
Axel Kohlmeyer 2019-04-04 09:38:28 -04:00
parent 88d160f86e
commit a9c376f20d
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GPG Key ID: D9B44E93BF0C375A
2 changed files with 5 additions and 5 deletions
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8
src/USER-MISC/fix_pimd.cpp
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@ -637,14 +637,14 @@ void FixPIMD::comm_exec(double **ptr)
if(nsend > max_nsend)
{
max_nsend = nsend+200;
tag_send = (int*) memory->srealloc(tag_send, sizeof(int)*max_nsend, "FixPIMD:tag_send");
tag_send = (tagint*) memory->srealloc(tag_send, sizeof(tagint)*max_nsend, "FixPIMD:tag_send");
buf_send = (double*) memory->srealloc(buf_send, sizeof(double)*max_nsend*3, "FixPIMD:x_send");
}
// send tags
MPI_Sendrecv( atom->tag, nlocal, MPI_INT, plan_send[iplan], 0,
tag_send, nsend, MPI_INT, plan_recv[iplan], 0, universe->uworld, MPI_STATUS_IGNORE);
MPI_Sendrecv( atom->tag, nlocal, MPI_LMP_TAGINT, plan_send[iplan], 0,
tag_send, nsend, MPI_LMP_TAGINT, plan_recv[iplan], 0, universe->uworld, MPI_STATUS_IGNORE);
// wrap positions
@ -661,7 +661,7 @@ void FixPIMD::comm_exec(double **ptr)
sprintf(error_line, "Atom " TAGINT_FORMAT " is missing at world [%d] "
"rank [%d] required by rank [%d] (" TAGINT_FORMAT ", "
TAGINT_FORMAT ", " TAGINT_FORMAT ").\n",tag_send[i],
TAGINT_FORMAT ", " TAGINT_FORMAT ").\n", tag_send[i],
universe->iworld, comm->me, plan_recv[iplan],
atom->tag[0], atom->tag[1], atom->tag[2]);

2
src/USER-MISC/fix_pimd.h
View File

@ -68,7 +68,7 @@ class FixPIMD : public Fix {
/* inter-partition communication */
int max_nsend;
int* tag_send;
tagint* tag_send;
double *buf_send;
int max_nlocal;