elimitate nthreads member, change threads from int to bool and determine... (822c7c5c) · Commits · 郑智淋 / lammps

src/atom_vec.cpp

+22 −22

Original line number	Diff line number	Diff line
		@@ -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),nmaxthreads[i],"atom:dvec");
		memory->grow(((double ) pdata),nmax(threads[i]?nthreads:1),"atom:dvec");
		else if (cols > 0)
		memory->grow(((double *) pdata),nmaxthreads[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),nmaxthreads[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),nmaxthreads[i],"atom:ivec");
		memory->grow(((int ) pdata),nmax(threads[i]?nthreads:1),"atom:ivec");
		else if (cols > 0)
		memory->grow(((int *) pdata),nmaxthreads[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),nmaxthreads[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),nmaxthreads[i],"atom:bvec");
		memory->grow(((bigint ) pdata),nmax(threads[i]?nthreads:1),"atom:bvec");
		else if (cols > 0)
		memory->grow(((bigint *) pdata),nmaxthreads[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),nmaxthreads[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),nmaxthreads[i]);
		bytes += memory->usage(((double ) pdata),nmax(threads[i]?nthreads:1));
		} else if (cols > 0) {
		bytes += memory->usage(((double *) pdata),nmaxthreads[i],cols);
		bytes += memory->usage(((double *) pdata),nmax(threads[i]?nthreads:1),cols);
		} else {
		maxcols = *(mgrow.maxcols[i]);
		bytes += memory->usage(((double *) pdata),nmaxthreads[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),nmaxthreads[i]);
		bytes += memory->usage(((int ) pdata),nmax(threads[i]?nthreads:1));
		} else if (cols > 0) {
		bytes += memory->usage(((int *) pdata),nmaxthreads[i],cols);
		bytes += memory->usage(((int *) pdata),nmax(threads[i]?nthreads:1),cols);
		} else {
		maxcols = *(mgrow.maxcols[i]);
		bytes += memory->usage(((int *) pdata),nmaxthreads[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),nmaxthreads[i]);
		bytes += memory->usage(((bigint ) pdata),nmax(threads[i]?nthreads:1));
		} else if (cols > 0) {
		bytes += memory->usage(((bigint *) pdata),nmaxthreads[i],cols);
		bytes += memory->usage(((bigint *) pdata),nmax(threads[i]?nthreads:1),cols);
		} else {
		maxcols = *(mgrow.maxcols[i]);
		bytes += memory->usage(((bigint *) pdata),nmaxthreads[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

src/atom_vec.h

+1 −2

Original line number	Diff line number	Diff line
		@@ -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)

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