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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10982 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2013-11-05 17:56:17 +00:00
parent c90a68646c
commit c44a7a2673
1 changed files with 15 additions and 1 deletions
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16
src/variable.cpp
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@ -605,7 +605,7 @@ double Variable::compute_equal(char *str)
} }
/* ---------------------------------------------------------------------- /* ----------------------------------------------------------------------
compute result of atom-style and atomfile-atyle variable evaluation compute result of atom-style and atomfile-style variable evaluation
only computed for atoms in igroup, else result is 0.0 only computed for atoms in igroup, else result is 0.0
answers are placed every stride locations into result answers are placed every stride locations into result
if sumflag, add variable values to existing result if sumflag, add variable values to existing result
@ -1036,6 +1036,10 @@ double Variable::evaluate(char *str, Tree **tree)
peratom2global(1,NULL,&compute->array_atom[0][index2-1], peratom2global(1,NULL,&compute->array_atom[0][index2-1],
compute->size_peratom_cols,index1, compute->size_peratom_cols,index1,
tree,treestack,ntreestack,argstack,nargstack); tree,treestack,ntreestack,argstack,nargstack);
else
peratom2global(1,NULL,NULL,
compute->size_peratom_cols,index1,
tree,treestack,ntreestack,argstack,nargstack);
// c_ID = vector from per-atom vector // c_ID = vector from per-atom vector
@ -1219,6 +1223,10 @@ double Variable::evaluate(char *str, Tree **tree)
peratom2global(1,NULL,&fix->array_atom[0][index2-1], peratom2global(1,NULL,&fix->array_atom[0][index2-1],
fix->size_peratom_cols,index1, fix->size_peratom_cols,index1,
tree,treestack,ntreestack,argstack,nargstack); tree,treestack,ntreestack,argstack,nargstack);
else
peratom2global(1,NULL,NULL,
fix->size_peratom_cols,index1,
tree,treestack,ntreestack,argstack,nargstack);
// f_ID = vector from per-atom vector // f_ID = vector from per-atom vector
@ -3350,6 +3358,8 @@ void Variable::peratom2global(int flag, char *word,
int index = atom->map(id); int index = atom->map(id);
printf("WORD %d %d %s %d\n",me,index,word,flag);
double mine; double mine;
if (index >= 0 && index < atom->nlocal) { if (index >= 0 && index < atom->nlocal) {
@ -3376,9 +3386,13 @@ void Variable::peratom2global(int flag, char *word,
} else mine = 0.0; } else mine = 0.0;
printf("PRE %d %d %s %d\n",me,index,word,flag);
double value; double value;
MPI_Allreduce(&mine,&value,1,MPI_DOUBLE,MPI_SUM,world); MPI_Allreduce(&mine,&value,1,MPI_DOUBLE,MPI_SUM,world);
printf("POST %d %d %s %d\n",me,index,word,flag);
if (tree) { if (tree) {
Tree *newtree = new Tree(); Tree *newtree = new Tree();
newtree->type = VALUE; newtree->type = VALUE;