(8ef19992) · Commits · 郑智淋 / lammps

src/MPIIO/dump_atom_mpiio.cpp

+1 −3

Original line number	Diff line number	Diff line
		@@ -38,9 +38,7 @@ using namespace LAMMPS_NS;
		/* ---------------------------------------------------------------------- */

		DumpAtomMPIIO::DumpAtomMPIIO(LAMMPS lmp, int narg, char *arg) :
		DumpAtom(lmp, narg, arg)
		{
		}
		DumpAtom(lmp, narg, arg) {}

		/* ---------------------------------------------------------------------- */

+1 −5

Original line number	Diff line number	Diff line
		@@ -11,13 +11,9 @@
		See the README file in the top-level LAMMPS directory.
		------------------------------------------------------------------------- */

		/* ----------------------------------------------------------------------
		Contributing author: Paul Coffman (IBM)
		------------------------------------------------------------------------- */

		#ifdef DUMP_CLASS

		DumpStyle(atom_mpiio,DumpAtomMPIIO)
		DumpStyle(atom/mpiio,DumpAtomMPIIO)

		#else

+2 −8

Original line number	Diff line number	Diff line
		@@ -59,9 +59,7 @@ enum{INT,DOUBLE,STRING}; // same as in DumpCFG
		/* ---------------------------------------------------------------------- */

		DumpCustomMPIIO::DumpCustomMPIIO(LAMMPS lmp, int narg, char *arg) :
		DumpCustom(lmp, narg, arg)
		{
		}
		DumpCustom(lmp, narg, arg) {}

		/* ---------------------------------------------------------------------- */

		@@ -74,7 +72,6 @@ DumpCustomMPIIO::~DumpCustomMPIIO()

		void DumpCustomMPIIO::openfile()
		{

		if (singlefile_opened) { // single file already opened, so just return after resetting filesize
		mpifo = currentFileSize;
		MPI_File_set_size(mpifh,mpifo+headerSize+sumFileSize);
		@@ -140,7 +137,6 @@ void DumpCustomMPIIO::openfile()

		void DumpCustomMPIIO::write()
		{

		if (domain->triclinic == 0) {
		boxxlo = domain->boxlo[0];
		boxxhi = domain->boxhi[0];
		@@ -504,7 +500,6 @@ void DumpCustomMPIIO::header_item_triclinic(bigint ndump)

		void DumpCustomMPIIO::write_data(int n, double *mybuf)
		{

		(this->*write_choice)(n,mybuf);
		}

		@@ -512,7 +507,6 @@ void DumpCustomMPIIO::write_data(int n, double *mybuf)

		void DumpCustomMPIIO::write_binary(int n, double *mybuf)
		{

		MPI_Status mpiStatus;
		n *= size_one;

+2 −7

Original line number	Diff line number	Diff line
		@@ -11,13 +11,9 @@
		See the README file in the top-level LAMMPS directory.
		------------------------------------------------------------------------- */

		/* ----------------------------------------------------------------------
		Contributing author: Paul Coffman (IBM)
		------------------------------------------------------------------------- */

		#ifdef DUMP_CLASS

		DumpStyle(custom_mpiio,DumpCustomMPIIO)
		DumpStyle(custom/mpiio,DumpCustomMPIIO)

		#else

		@@ -42,6 +38,7 @@ class DumpCustomMPIIO : public DumpCustom {
		MPI_Offset mpifo,offsetFromHeader,headerSize, currentFileSize;
		int performEstimate; // switch for write_data and write_header methods to use for gathering data and detemining filesize for preallocation vs actually writing the data
		char filecurrent; // name of file for this round (with % and replaced)

		#if defined(_OPENMP)
		int convert_string_omp(int, double *); // multithreaded version of convert_string
		#endif
		@@ -63,8 +60,6 @@ class DumpCustomMPIIO : public DumpCustom {
		FnPtrData write_choice; // ptr to write data functions
		void write_binary(int, double *);
		void write_string(int, double *);


		};

		}

+2 −7

Original line number	Diff line number	Diff line
		@@ -59,9 +59,7 @@ enum{INT,DOUBLE,STRING}; // same as in DumpCFG
		/* ---------------------------------------------------------------------- */

		DumpXYZMPIIO::DumpXYZMPIIO(LAMMPS lmp, int narg, char *arg) :
		DumpXYZ(lmp, narg, arg)
		{
		}
		DumpXYZ(lmp, narg, arg) {}

		/* ---------------------------------------------------------------------- */

		@@ -251,7 +249,6 @@ void DumpXYZMPIIO::init_style()

		void DumpXYZMPIIO::write_header(bigint n)
		{

		MPI_Status mpiStatus;

		if (performEstimate) {
		@@ -275,7 +272,6 @@ void DumpXYZMPIIO::write_header(bigint n)

		void DumpXYZMPIIO::write_data(int n, double *mybuf)
		{

		(this->*write_choice)(n,mybuf);
		}

		@@ -287,7 +283,6 @@ void DumpXYZMPIIO::write_string(int n, double *mybuf)

		if (performEstimate) {


		#if defined(_OPENMP)
		int nthreads = omp_get_max_threads();
		if (nthreads > 1)