ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14630 f3b2605a-c512-4ea7-a41b-209d697bcdaa

Browse Source
This commit is contained in:
sjplimp
2016-02-15 22:27:37 +00:00
parent 952671afd6
commit 490b26ed06
3 changed files with 21 additions and 6 deletions
Download Patch File Download Diff File Expand all files Collapse all files

12
src/library.cpp
View File

@ -437,7 +437,8 @@ void lammps_gather_atoms(void *ptr, char *name,
if (count == 1) vector = (int *) vptr;
else array = (int **) vptr;
int *copy = (int*) data;
int *copy;
lmp->memory->create(copy,count*natoms,"lib/gather:copy");
for (i = 0; i < count*natoms; i++) copy[i] = 0;
tagint *tag = lmp->atom->tag;
@ -453,7 +454,8 @@ void lammps_gather_atoms(void *ptr, char *name,
copy[offset++] = array[i][0];
}
MPI_Allreduce(MPI_IN_PLACE,data,count*natoms,MPI_INT,MPI_SUM,lmp->world);
MPI_Allreduce(copy,data,count*natoms,MPI_INT,MPI_SUM,lmp->world);
lmp->memory->destroy(copy);
} else {
double *vector = NULL;
@ -461,7 +463,8 @@ void lammps_gather_atoms(void *ptr, char *name,
if (count == 1) vector = (double *) vptr;
else array = (double **) vptr;
double *copy = (double*) data;
double *copy;
lmp->memory->create(copy,count*natoms,"lib/gather:copy");
for (i = 0; i < count*natoms; i++) copy[i] = 0.0;
tagint *tag = lmp->atom->tag;
@ -478,7 +481,8 @@ void lammps_gather_atoms(void *ptr, char *name,
}
}
MPI_Allreduce(MPI_IN_PLACE,data,count*natoms,MPI_DOUBLE,MPI_SUM,lmp->world);
MPI_Allreduce(copy,data,count*natoms,MPI_DOUBLE,MPI_SUM,lmp->world);
lmp->memory->destroy(copy);
}
}