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make PRD code compatible with -DLAMMPS_BIGBIG

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This commit is contained in:
Axel Kohlmeyer
2016-10-19 10:43:25 -04:00
parent 2106dce2b3
commit 1a10857244
2 changed files with 12 additions and 9 deletions
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18
src/REPLICA/prd.cpp
View File

@ -795,7 +795,7 @@ void PRD::replicate(int ireplica)
if (cmode == SINGLE_PROC_DIRECT) {
MPI_Bcast(atom->x[0],3*atom->nlocal,MPI_DOUBLE,ireplica,comm_replica);
MPI_Bcast(atom->image,atom->nlocal,MPI_INT,ireplica,comm_replica);
MPI_Bcast(atom->image,atom->nlocal,MPI_LMP_IMAGEINT,ireplica,comm_replica);
return;
}
@ -815,9 +815,9 @@ void PRD::replicate(int ireplica)
memcpy(imageall,image,nlocal*sizeof(imageint));
}
MPI_Bcast(tagall,natoms,MPI_INT,ireplica,comm_replica);
MPI_Bcast(tagall,natoms,MPI_LMP_TAGINT,ireplica,comm_replica);
MPI_Bcast(xall[0],3*natoms,MPI_DOUBLE,ireplica,comm_replica);
MPI_Bcast(imageall,natoms,MPI_INT,ireplica,comm_replica);
MPI_Bcast(imageall,natoms,MPI_LMP_IMAGEINT,ireplica,comm_replica);
for (i = 0; i < nlocal; i++) {
m = atom->map(tagall[i]);
@ -844,8 +844,8 @@ void PRD::replicate(int ireplica)
displacements[i+1] = displacements[i] + counts[i];
MPI_Gatherv(atom->tag,atom->nlocal,MPI_LMP_TAGINT,
tagall,counts,displacements,MPI_LMP_TAGINT,0,world);
MPI_Gatherv(atom->image,atom->nlocal,MPI_LMP_TAGINT,
imageall,counts,displacements,MPI_LMP_TAGINT,0,world);
MPI_Gatherv(atom->image,atom->nlocal,MPI_LMP_IMAGEINT,
imageall,counts,displacements,MPI_LMP_IMAGEINT,0,world);
for (i = 0; i < nprocs; i++) counts[i] *= 3;
for (i = 0; i < nprocs-1; i++)
displacements[i+1] = displacements[i] + counts[i];
@ -854,13 +854,13 @@ void PRD::replicate(int ireplica)
}
if (me == 0) {
MPI_Bcast(tagall,natoms,MPI_INT,ireplica,comm_replica);
MPI_Bcast(imageall,natoms,MPI_INT,ireplica,comm_replica);
MPI_Bcast(tagall,natoms,MPI_LMP_TAGINT,ireplica,comm_replica);
MPI_Bcast(imageall,natoms,MPI_LMP_IMAGEINT,ireplica,comm_replica);
MPI_Bcast(xall[0],3*natoms,MPI_DOUBLE,ireplica,comm_replica);
}
MPI_Bcast(tagall,natoms,MPI_INT,0,world);
MPI_Bcast(imageall,natoms,MPI_INT,0,world);
MPI_Bcast(tagall,natoms,MPI_LMP_TAGINT,0,world);
MPI_Bcast(imageall,natoms,MPI_LMP_IMAGEINT,0,world);
MPI_Bcast(xall[0],3*natoms,MPI_DOUBLE,0,world);
double **x = atom->x;

3
src/lmptype.h
View File

@ -89,6 +89,7 @@ typedef int64_t bigint;
#define MAXBIGINT INT64_MAX
#define MPI_LMP_TAGINT MPI_INT
#define MPI_LMP_IMAGEINT MPI_INT
#define MPI_LMP_BIGINT MPI_LL
#define TAGINT_FORMAT "%d"
@ -120,6 +121,7 @@ typedef int64_t bigint;
#define MAXBIGINT INT64_MAX
#define MPI_LMP_TAGINT MPI_LL
#define MPI_LMP_IMAGEINT MPI_LL
#define MPI_LMP_BIGINT MPI_LL
#define TAGINT_FORMAT "%" PRId64
@ -150,6 +152,7 @@ typedef int bigint;
#define MAXBIGINT INT_MAX
#define MPI_LMP_TAGINT MPI_INT
#define MPI_LMP_IMAGEINT MPI_INT
#define MPI_LMP_BIGINT MPI_INT
#define TAGINT_FORMAT "%d"