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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5476 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2011-01-05 00:29:35 +00:00
parent c69f3aea57
commit 55e8b2bee6
18 changed files with 53 additions and 54 deletions
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10
src/read_data.cpp
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@ -435,7 +435,7 @@ void ReadData::atoms()
// check that all atoms were assigned correctly
bigint tmp = atom->nlocal;
MPI_Allreduce(&tmp,&natoms,1,MPI_UNSIGNED_LONG,MPI_SUM,world);
MPI_Allreduce(&tmp,&natoms,1,MPI_UNSIGNED_LONG_LONG,MPI_SUM,world);
if (me == 0) {
if (screen) fprintf(screen," %lu atoms\n",natoms);
@ -568,7 +568,7 @@ void ReadData::bonds()
bigint sum;
bigint n = 0;
for (i = 0; i < nlocal; i++) n += atom->num_bond[i];
MPI_Allreduce(&n,&sum,1,MPI_UNSIGNED_LONG,MPI_SUM,world);
MPI_Allreduce(&n,&sum,1,MPI_UNSIGNED_LONG_LONG,MPI_SUM,world);
int factor = 1;
if (!force->newton_bond) factor = 2;
@ -613,7 +613,7 @@ void ReadData::angles()
bigint sum;
bigint n = 0;
for (i = 0; i < nlocal; i++) n += atom->num_angle[i];
MPI_Allreduce(&n,&sum,1,MPI_UNSIGNED_LONG,MPI_SUM,world);
MPI_Allreduce(&n,&sum,1,MPI_UNSIGNED_LONG_LONG,MPI_SUM,world);
int factor = 1;
if (!force->newton_bond) factor = 3;
@ -658,7 +658,7 @@ void ReadData::dihedrals()
bigint sum;
bigint n = 0;
for (i = 0; i < nlocal; i++) n += atom->num_dihedral[i];
MPI_Allreduce(&n,&sum,1,MPI_UNSIGNED_LONG,MPI_SUM,world);
MPI_Allreduce(&n,&sum,1,MPI_UNSIGNED_LONG_LONG,MPI_SUM,world);
int factor = 1;
if (!force->newton_bond) factor = 4;
@ -704,7 +704,7 @@ void ReadData::impropers()
bigint sum;
bigint n = 0;
for (i = 0; i < nlocal; i++) n += atom->num_improper[i];
MPI_Allreduce(&n,&sum,1,MPI_UNSIGNED_LONG,MPI_SUM,world);
MPI_Allreduce(&n,&sum,1,MPI_UNSIGNED_LONG_LONG,MPI_SUM,world);
int factor = 1;
if (!force->newton_bond) factor = 4;