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elimitate nthreads member, change threads from int to bool and determine number of threads dynamically

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this fixes #2081
This commit is contained in:
Axel Kohlmeyer
2020-05-11 10:57:27 -04:00
parent 8228cc8987
commit 822c7c5ca1
2 changed files with 23 additions and 24 deletions
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44
src/atom_vec.cpp
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@ -53,7 +53,6 @@ AtomVec::AtomVec(LAMMPS *lmp) : Pointers(lmp)
argcopy = NULL;
threads = NULL;
nthreads = comm->nthreads;
// peratom variables auto-included in corresponding child style fields string
// these fields cannot be specified in the fields string
@ -193,6 +192,7 @@ void AtomVec::grow(int n)
{
int datatype,cols,maxcols;
void *pdata;
int nthreads = comm->nthreads;
if (n == 0) grow_nmax();
else nmax = n;
@ -214,30 +214,30 @@ void AtomVec::grow(int n)
cols = mgrow.cols[i];
if (datatype == DOUBLE) {
if (cols == 0)
memory->grow(*((double **) pdata),nmax*threads[i],"atom:dvec");
memory->grow(*((double **) pdata),nmax*(threads[i]?nthreads:1),"atom:dvec");
else if (cols > 0)
memory->grow(*((double ***) pdata),nmax*threads[i],cols,"atom:darray");
memory->grow(*((double ***) pdata),nmax*(threads[i]?nthreads:1),cols,"atom:darray");
else {
maxcols = *(mgrow.maxcols[i]);
memory->grow(*((double ***) pdata),nmax*threads[i],maxcols,"atom:darray");
memory->grow(*((double ***) pdata),nmax*(threads[i]?nthreads:1),maxcols,"atom:darray");
}
} else if (datatype == INT) {
if (cols == 0)
memory->grow(*((int **) pdata),nmax*threads[i],"atom:ivec");
memory->grow(*((int **) pdata),nmax*(threads[i]?nthreads:1),"atom:ivec");
else if (cols > 0)
memory->grow(*((int ***) pdata),nmax*threads[i],cols,"atom:iarray");
memory->grow(*((int ***) pdata),nmax*(threads[i]?nthreads:1),cols,"atom:iarray");
else {
maxcols = *(mgrow.maxcols[i]);
memory->grow(*((int ***) pdata),nmax*threads[i],maxcols,"atom:iarray");
memory->grow(*((int ***) pdata),nmax*(threads[i]?nthreads:1),maxcols,"atom:iarray");
}
} else if (datatype == BIGINT) {
if (cols == 0)
memory->grow(*((bigint **) pdata),nmax*threads[i],"atom:bvec");
memory->grow(*((bigint **) pdata),nmax*(threads[i]?nthreads:1),"atom:bvec");
else if (cols > 0)
memory->grow(*((bigint ***) pdata),nmax*threads[i],cols,"atom:barray");
memory->grow(*((bigint ***) pdata),nmax*(threads[i]?nthreads:1),cols,"atom:barray");
else {
maxcols = *(mgrow.maxcols[i]);
memory->grow(*((int ***) pdata),nmax*threads[i],maxcols,"atom:barray");
memory->grow(*((int ***) pdata),nmax*(threads[i]?nthreads:1),maxcols,"atom:barray");
}
}
}
@ -2281,6 +2281,7 @@ bigint AtomVec::memory_usage()
{
int datatype,cols,index,maxcols;
void *pdata;
int nthreads = comm->nthreads;
bigint bytes = 0;
@ -2299,30 +2300,30 @@ bigint AtomVec::memory_usage()
index = mgrow.index[i];
if (datatype == DOUBLE) {
if (cols == 0) {
bytes += memory->usage(*((double **) pdata),nmax*threads[i]);
bytes += memory->usage(*((double **) pdata),nmax*(threads[i]?nthreads:1));
} else if (cols > 0) {
bytes += memory->usage(*((double ***) pdata),nmax*threads[i],cols);
bytes += memory->usage(*((double ***) pdata),nmax*(threads[i]?nthreads:1),cols);
} else {
maxcols = *(mgrow.maxcols[i]);
bytes += memory->usage(*((double ***) pdata),nmax*threads[i],maxcols);
bytes += memory->usage(*((double ***) pdata),nmax*(threads[i]?nthreads:1),maxcols);
}
} else if (datatype == INT) {
if (cols == 0) {
bytes += memory->usage(*((int **) pdata),nmax*threads[i]);
bytes += memory->usage(*((int **) pdata),nmax*(threads[i]?nthreads:1));
} else if (cols > 0) {
bytes += memory->usage(*((int ***) pdata),nmax*threads[i],cols);
bytes += memory->usage(*((int ***) pdata),nmax*(threads[i]?nthreads:1),cols);
} else {
maxcols = *(mgrow.maxcols[i]);
bytes += memory->usage(*((int ***) pdata),nmax*threads[i],maxcols);
bytes += memory->usage(*((int ***) pdata),nmax*(threads[i]?nthreads:1),maxcols);
}
} else if (datatype == BIGINT) {
if (cols == 0) {
bytes += memory->usage(*((bigint **) pdata),nmax*threads[i]);
bytes += memory->usage(*((bigint **) pdata),nmax*(threads[i]?nthreads:1));
} else if (cols > 0) {
bytes += memory->usage(*((bigint ***) pdata),nmax*threads[i],cols);
bytes += memory->usage(*((bigint ***) pdata),nmax*(threads[i]?nthreads:1),cols);
} else {
maxcols = *(mgrow.maxcols[i]);
bytes += memory->usage(*((bigint ***) pdata),nmax*threads[i],maxcols);
bytes += memory->usage(*((bigint ***) pdata),nmax*(threads[i]?nthreads:1),maxcols);
}
}
}
@ -2383,11 +2384,10 @@ void AtomVec::setup_fields()
// create threads data struct for grow and memory_usage to use
threads = new int[ngrow];
threads = new bool[ngrow];
for (int i = 0; i < ngrow; i++) {
Atom::PerAtom *field = &atom->peratom[mgrow.index[i]];
if (field->threadflag) threads[i] = nthreads;
else threads[i] = 1;
threads[i] = (field->threadflag) ? true : false;
}
// set style-specific sizes

3
src/atom_vec.h
View File

@ -207,8 +207,7 @@ class AtomVec : protected Pointers {
// thread info for fields that are duplicated over threads
// used by fields in grow() and memory_usage()
int nthreads;
int *threads;
bool *threads;
// union data struct for packing 32-bit and 64-bit ints into double bufs
// this avoids aliasing issues by having 2 pointers (double,int)