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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13117 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2015-02-16 17:10:17 +00:00
parent f1eb006c26
commit 71f14d49cc
1 changed files with 7 additions and 6 deletions
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13
src/compute_temp_chunk.cpp
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@ -133,9 +133,9 @@ ComputeTempChunk::ComputeTempChunk(LAMMPS *lmp, int narg, char **arg) :
count = countall = NULL; count = countall = NULL;
massproc = masstotal = NULL; massproc = masstotal = NULL;
vcm = vcmall = NULL; vcm = vcmall = NULL;
array = NULL;
if (nvalues) { if (nvalues) {
array = NULL;
array_flag = 1; array_flag = 1;
size_array_cols = nvalues; size_array_cols = nvalues;
size_array_rows = 0; size_array_rows = 0;
@ -151,19 +151,19 @@ ComputeTempChunk::ComputeTempChunk(LAMMPS *lmp, int narg, char **arg) :
ComputeTempChunk::~ComputeTempChunk() ComputeTempChunk::~ComputeTempChunk()
{ {
delete [] which;
delete [] vector;
delete [] idchunk; delete [] idchunk;
delete [] which;
delete [] id_bias; delete [] id_bias;
delete [] vector;
memory->destroy(sum); memory->destroy(sum);
memory->destroy(sumall); memory->destroy(sumall);
memory->destroy(count); memory->destroy(count);
memory->destroy(countall); memory->destroy(countall);
memory->destroy(array);
memory->destroy(massproc); memory->destroy(massproc);
memory->destroy(masstotal); memory->destroy(masstotal);
memory->destroy(vcm); memory->destroy(vcm);
memory->destroy(vcmall); memory->destroy(vcmall);
memory->destroy(array);
} }
/* ---------------------------------------------------------------------- */ /* ---------------------------------------------------------------------- */
@ -817,6 +817,7 @@ void ComputeTempChunk::allocate()
memory->destroy(sumall); memory->destroy(sumall);
memory->destroy(count); memory->destroy(count);
memory->destroy(countall); memory->destroy(countall);
memory->destroy(array);
maxchunk = nchunk; maxchunk = nchunk;
memory->create(sum,maxchunk,"temp/chunk:sum"); memory->create(sum,maxchunk,"temp/chunk:sum");
memory->create(sumall,maxchunk,"temp/chunk:sumall"); memory->create(sumall,maxchunk,"temp/chunk:sumall");
@ -824,7 +825,7 @@ void ComputeTempChunk::allocate()
memory->create(countall,maxchunk,"temp/chunk:countall"); memory->create(countall,maxchunk,"temp/chunk:countall");
memory->create(array,maxchunk,nvalues,"temp/chunk:array"); memory->create(array,maxchunk,nvalues,"temp/chunk:array");
if (comflag) { if (comflag || nvalues) {
memory->destroy(massproc); memory->destroy(massproc);
memory->destroy(masstotal); memory->destroy(masstotal);
memory->destroy(vcm); memory->destroy(vcm);
@ -845,7 +846,7 @@ double ComputeTempChunk::memory_usage()
double bytes = (bigint) maxchunk * 2 * sizeof(double); double bytes = (bigint) maxchunk * 2 * sizeof(double);
bytes = (bigint) maxchunk * 2 * sizeof(int); bytes = (bigint) maxchunk * 2 * sizeof(int);
bytes = (bigint) maxchunk * nvalues * sizeof(double); bytes = (bigint) maxchunk * nvalues * sizeof(double);
if (comflag) { if (comflag || nvalues) {
bytes += (bigint) maxchunk * 2 * sizeof(double); bytes += (bigint) maxchunk * 2 * sizeof(double);
bytes += (bigint) maxchunk * 2*3 * sizeof(double); bytes += (bigint) maxchunk * 2*3 * sizeof(double);
} }