change isReaderParallel flag to parallel and generally adapt more to LAMMPS programming style (125a82f5) · Commits · 郑智淋 / lammps

src/read_dump.cpp

+15 −12

Original line number	Diff line number	Diff line
		@@ -74,6 +74,8 @@ ReadDump::ReadDump(LAMMPS *lmp) : Pointers(lmp)
		readers = NULL;
		nsnapatoms = NULL;
		clustercomm = MPI_COMM_NULL;
		filereader = 0;
		parallel = 0;
		}

		/* ---------------------------------------------------------------------- */
		@@ -255,7 +257,6 @@ void ReadDump::setup_reader(int narg, char **arg)
		else if (strcmp(readerstyle,#key) == 0) { \
		for (int i = 0; i < nreader; i++) \
		readers[i] = new Class(lmp); \
		isReaderParallel = (#key == "adios"); \
		}
		#include "style_reader.h"
		#undef READER_CLASS
		@@ -264,8 +265,9 @@ void ReadDump::setup_reader(int narg, char **arg)

		else error->all(FLERR,utils::check_packages_for_style("reader",readerstyle,lmp).c_str());

		if (isReaderParallel) {
		// everyone is a reader
		if (utils::strmatch(readerstyle,"^adios")) {
		// everyone is a reader with adios
		parallel = 1;
		filereader = 1;
		}

		@@ -290,7 +292,7 @@ bigint ReadDump::seek(bigint nrequest, int exact)

		// proc 0 finds the timestep in its first reader

		if (me == 0 \|\| isReaderParallel) {
		if (me == 0 \|\| parallel) {

		// exit file loop when dump timestep >= nrequest
		// or files exhausted
		@@ -323,7 +325,7 @@ bigint ReadDump::seek(bigint nrequest, int exact)
		if (exact && ntimestep != nrequest) ntimestep = -1;
		}

		if (!isReaderParallel) {
		if (!parallel) {
		// proc 0 broadcasts timestep and currentfile to all procs

		MPI_Bcast(&ntimestep,1,MPI_LMP_BIGINT,0,world);
		@@ -387,7 +389,7 @@ bigint ReadDump::next(bigint ncurrent, bigint nlast, int nevery, int nskip)

		// proc 0 finds the timestep in its first reader

		if (me == 0 \|\| isReaderParallel) {
		if (me == 0 \|\| parallel) {

		// exit file loop when dump timestep matches all criteria
		// or files exhausted
		@@ -433,7 +435,7 @@ bigint ReadDump::next(bigint ncurrent, bigint nlast, int nevery, int nskip)
		if (ntimestep > nlast) ntimestep = -1;
		}

		if (!isReaderParallel) {
		if (!parallel) {
		// proc 0 broadcasts timestep and currentfile to all procs

		MPI_Bcast(&ntimestep,1,MPI_LMP_BIGINT,0,world);
		@@ -499,7 +501,7 @@ void ReadDump::header(int fieldinfo)
		xflag,yflag,zflag);
		}

		if (!isReaderParallel) {
		if (!parallel) {
		MPI_Bcast(nsnapatoms,nreader,MPI_LMP_BIGINT,0,clustercomm);
		MPI_Bcast(&boxinfo,1,MPI_INT,0,clustercomm);
		MPI_Bcast(&triclinic_snap,1,MPI_INT,0,clustercomm);
		@@ -727,7 +729,7 @@ void ReadDump::read_atoms()
		// each reading proc reads one file and splits data across cluster
		// cluster can be all procs or a subset

		if (!isReaderParallel && (!multiproc \|\| multiproc_nfile < nprocs)) {
		if (!parallel && (!multiproc \|\| multiproc_nfile < nprocs)) {
		nsnap = nsnapatoms[0];

		if (filereader) {
		@@ -799,7 +801,7 @@ void ReadDump::read_atoms()
		// every proc is a filereader, reads one or more files
		// each proc keeps all data it reads, no communication required

		} else if (multiproc_nfile >= nprocs \|\| isReaderParallel) {
		} else if (multiproc_nfile >= nprocs \|\| parallel) {
		bigint sum = 0;
		for (int i = 0; i < nreader; i++)
		sum += nsnapatoms[i];
		@@ -817,8 +819,9 @@ void ReadDump::read_atoms()
		nsnap = nsnapatoms[i];
		ntotal = 0;
		while (ntotal < nsnap) {
		if (isReaderParallel) {
		nread = nsnap-ntotal; // read the whole thing at once
		if (parallel) {
		// read the whole thing at once
		nread = nsnap-ntotal;
		} else {
		nread = MIN(CHUNK,nsnap-ntotal);
		}

src/read_dump.h

+1 −2

Original line number	Diff line number	Diff line
		@@ -58,6 +58,7 @@ private:
		int firstfile; // index of 1st dump file my cluster reads
		// (0 to multiproc_nfile-1)
		int filereader; // 1 if this proc reads from a dump file(s)
		int parallel; // 1 if parallel reading (e.g. via ADIOS2)

		int dimension; // same as in Domain
		int triclinic;
		@@ -92,8 +93,6 @@ private:
		int npurge,nreplace,ntrim,nadd; // stats on processed atoms
		int yindex,zindex; // field index for Y,Z coords

		bool isReaderParallel; // true when all processes participate in IO (e.g. ADIOS)

		class Reader **readers; // class that reads a dump file
		// nreader-length list of readers if proc reads
		// from multiple parallel dump files

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