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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3763 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2010-02-01 16:58:37 +00:00
parent a15fe3e78e
commit ba5a3fd0cb
1 changed files with 73 additions and 29 deletions
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102
src/compute_reduce.cpp
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@ -349,16 +349,29 @@ double ComputeReduce::compute_scalar()
double one = compute_one(0,-1);
if (mode == SUM)
MPI_Allreduce(&one,&scalar,1,MPI_DOUBLE,MPI_SUM,world);
else if (mode == MINN)
MPI_Allreduce(&one,&scalar,1,MPI_DOUBLE,MPI_MIN,world);
else if (mode == MAXX)
MPI_Allreduce(&one,&scalar,1,MPI_DOUBLE,MPI_MAX,world);
else if (mode == AVE) {
MPI_Allreduce(&one,&scalar,1,MPI_DOUBLE,MPI_SUM,world);
if (mode == SUM) {
if (flavor[0] == GLOBAL)
scalar = one;
else
MPI_Allreduce(&one,&scalar,1,MPI_DOUBLE,MPI_SUM,world);
} else if (mode == MINN) {
if (flavor[0] == GLOBAL)
scalar = one;
else
MPI_Allreduce(&one,&scalar,1,MPI_DOUBLE,MPI_MIN,world);
} else if (mode == MAXX) {
if (flavor[0] == GLOBAL)
scalar = one;
else
MPI_Allreduce(&one,&scalar,1,MPI_DOUBLE,MPI_MAX,world);
} else if (mode == AVE) {
if (flavor[0] == GLOBAL)
scalar = one;
else
MPI_Allreduce(&one,&scalar,1,MPI_DOUBLE,MPI_SUM,world);
scalar /= count(0);
}
return scalar;
}
@ -374,20 +387,35 @@ void ComputeReduce::compute_vector()
indices[m] = index;
}
if (mode == SUM)
MPI_Allreduce(onevec,vector,size_vector,MPI_DOUBLE,MPI_SUM,world);
if (mode == SUM) {
for (int m = 0; m < nvalues; m++) {
if (flavor[m] == GLOBAL)
vector[m] = onevec[m];
else
MPI_Allreduce(&onevec[m],&vector[m],1,MPI_DOUBLE,MPI_SUM,world);
}
else if (mode == MINN) {
if (!replace)
MPI_Allreduce(onevec,vector,size_vector,MPI_DOUBLE,MPI_MIN,world);
else {
} else if (mode == MINN) {
if (!replace) {
for (int m = 0; m < nvalues; m++) {
if (flavor[m] == GLOBAL)
vector[m] = onevec[m];
else
MPI_Allreduce(&onevec[m],&vector[m],1,MPI_DOUBLE,MPI_MIN,world);
}
} else {
for (int m = 0; m < nvalues; m++)
if (replace[m] < 0) {
pairme.value = onevec[m];
pairme.proc = me;
MPI_Allreduce(&pairme,&pairall,1,MPI_DOUBLE_INT,MPI_MINLOC,world);
vector[m] = pairall.value;
owner[m] = pairall.proc;
if (flavor[m] == GLOBAL) {
vector[m] = onevec[m];
owner[m] = me;
} else {
pairme.value = onevec[m];
pairme.proc = me;
MPI_Allreduce(&pairme,&pairall,1,MPI_DOUBLE_INT,MPI_MINLOC,world);
vector[m] = pairall.value;
owner[m] = pairall.proc;
}
}
for (int m = 0; m < nvalues; m++)
if (replace[m] >= 0) {
@ -398,16 +426,26 @@ void ComputeReduce::compute_vector()
}
} else if (mode == MAXX) {
if (!replace)
MPI_Allreduce(onevec,vector,size_vector,MPI_DOUBLE,MPI_MAX,world);
else {
if (!replace) {
for (int m = 0; m < nvalues; m++) {
if (flavor[m] == GLOBAL)
vector[m] = onevec[m];
else
MPI_Allreduce(&onevec[m],&vector[m],1,MPI_DOUBLE,MPI_MAX,world);
}
} else {
for (int m = 0; m < nvalues; m++)
if (replace[m] < 0) {
pairme.value = onevec[m];
pairme.proc = me;
MPI_Allreduce(&pairme,&pairall,1,MPI_DOUBLE_INT,MPI_MAXLOC,world);
vector[m] = pairall.value;
owner[m] = pairall.proc;
if (flavor[m] == GLOBAL) {
vector[m] = onevec[m];
owner[m] = me;
} else {
pairme.value = onevec[m];
pairme.proc = me;
MPI_Allreduce(&pairme,&pairall,1,MPI_DOUBLE_INT,MPI_MAXLOC,world);
vector[m] = pairall.value;
owner[m] = pairall.proc;
}
}
for (int m = 0; m < nvalues; m++)
if (replace[m] >= 0) {
@ -418,8 +456,13 @@ void ComputeReduce::compute_vector()
}
} else if (mode == AVE) {
MPI_Allreduce(onevec,vector,size_vector,MPI_DOUBLE,MPI_MAX,world);
for (int m = 0; m < nvalues; m++) vector[m] /= count(m);
for (int m = 0; m < nvalues; m++) {
if (flavor[m] == GLOBAL)
vector[m] = onevec[m];
else
MPI_Allreduce(&onevec[m],&vector[m],1,MPI_DOUBLE,MPI_SUM,world);
vector[m] /= count(m);
}
}
}
@ -451,6 +494,7 @@ double ComputeReduce::compute_one(int m, int flag)
if (mode == SUM) one = 0.0;
else if (mode == MINN) one = BIG;
else if (mode == MAXX) one = -BIG;
else if (mode == AVE) one = 0.0;
if (which[m] == X) {
double **x = atom->x;