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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14270 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2015-11-21 00:35:23 +00:00
parent b857237fef
commit b10ae0abaf
4 changed files with 33 additions and 30 deletions
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12
src/library.cpp
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@ -435,8 +435,7 @@ void lammps_gather_atoms(void *ptr, char *name,
if (count == 1) vector = (int *) vptr;
else array = (int **) vptr;
int *copy;
lmp->memory->create(copy,count*natoms,"lib/gather:copy");
int *copy = (int*) data;
for (i = 0; i < count*natoms; i++) copy[i] = 0;
tagint *tag = lmp->atom->tag;
@ -452,8 +451,7 @@ void lammps_gather_atoms(void *ptr, char *name,
copy[offset++] = array[i][0];
}
MPI_Allreduce(copy,data,count*natoms,MPI_INT,MPI_SUM,lmp->world);
lmp->memory->destroy(copy);
MPI_Allreduce(MPI_IN_PLACE,data,count*natoms,MPI_INT,MPI_SUM,lmp->world);
} else {
double *vector = NULL;
@ -461,8 +459,7 @@ void lammps_gather_atoms(void *ptr, char *name,
if (count == 1) vector = (double *) vptr;
else array = (double **) vptr;
double *copy;
lmp->memory->create(copy,count*natoms,"lib/gather:copy");
double *copy = (double*) data;
for (i = 0; i < count*natoms; i++) copy[i] = 0.0;
tagint *tag = lmp->atom->tag;
@ -479,8 +476,7 @@ void lammps_gather_atoms(void *ptr, char *name,
}
}
MPI_Allreduce(copy,data,count*natoms,MPI_DOUBLE,MPI_SUM,lmp->world);
lmp->memory->destroy(copy);
MPI_Allreduce(MPI_IN_PLACE,data,count*natoms,MPI_DOUBLE,MPI_SUM,lmp->world);
}
}