consolidate memory allocation information into a single function (in Info) (4b64be77) · Commits · 郑智淋 / lammps

doc/src/pg_lib_properties.rst

+5 −0

Original line number	Diff line number	Diff line
		@@ -21,6 +21,11 @@ event as atoms are migrating between sub-domains.

		-----------------------

		.. doxygenfunction:: lammps_memory_usage
		:project: progguide

		-----------------------

		.. doxygenfunction:: lammps_get_mpi_comm
		:project: progguide

src/info.cpp

+44 −27

Original line number	Diff line number	Diff line
		@@ -315,41 +315,23 @@ void Info::command(int narg, char **arg)
		}

		if (flags & MEMORY) {
		double meminfo[3];

		fputs("\nMemory allocation information (MPI rank 0):\n\n",out);
		get_memory_info(meminfo);

		double bytes = 0;
		bytes += atom->memory_usage();
		bytes += neighbor->memory_usage();
		bytes += comm->memory_usage();
		bytes += update->memory_usage();
		bytes += force->memory_usage();
		bytes += modify->memory_usage();
		for (int i = 0; i < output->ndump; i++)
		bytes += output->dump[i]->memory_usage();
		double mbytes = bytes/1024.0/1024.0;
		fmt::print(out,"Total dynamically allocated memory: {:.4} Mbyte\n",mbytes);
		fputs("\nMemory allocation information (MPI rank 0):\n\n",out);
		fmt::print(out,"Total dynamically allocated memory: {:.4} Mbyte\n",
		meminfo[0]);

		#if defined(_WIN32)
		HANDLE phandle = GetCurrentProcess();
		PROCESS_MEMORY_COUNTERS_EX pmc;
		GetProcessMemoryInfo(phandle,(PROCESS_MEMORY_COUNTERS *)&pmc,sizeof(pmc));
		fmt::print(out,"Non-shared memory use: {:.4} Mbyte\n",
		(double)pmc.PrivateUsage/1048576.0);
		fmt::print(out,"Maximum working set size: {:.4} Mbyte\n",
		(double)pmc.PeakWorkingSetSize/1048576.0);
		fmt::print(out,"Non-shared memory use: {:.4} Mbyte\n",meminfo[1]);
		fmt::print(out,"Maximum working set size: {:.4} Mbyte\n",meminfo[2]);
		#else
		#if defined(__linux__)
		struct mallinfo mi;
		mi = mallinfo();
		fmt::print(out,"Current reserved memory pool size: {:.4} Mbyte\n",
		(double)mi.uordblks/1048576.0+(double)mi.hblkhd/1048576.0);
		meminfo[1]);
		#endif
		struct rusage ru;
		if (getrusage(RUSAGE_SELF, &ru) == 0) {
		fmt::print(out,"Maximum resident set size: {:.4} Mbyte\n",
		(double)ru.ru_maxrss/1024.0);
		}
		fmt::print(out,"Maximum resident set size: {:.4} Mbyte\n",meminfo[2]);
		#endif
		}

		@@ -1300,6 +1282,41 @@ std::string Info::get_cxx_info()

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

		void Info::get_memory_info(double *meminfo)
		{
		double bytes = 0;
		bytes += atom->memory_usage();
		bytes += neighbor->memory_usage();
		bytes += comm->memory_usage();
		bytes += update->memory_usage();
		bytes += force->memory_usage();
		bytes += modify->memory_usage();
		for (int i = 0; i < output->ndump; i++)
		bytes += output->dump[i]->memory_usage();
		meminfo[0] = bytes/1024.0/1024.0;
		meminfo[1] = 0;
		meminfo[2] = 0;

		#if defined(_WIN32)
		HANDLE phandle = GetCurrentProcess();
		PROCESS_MEMORY_COUNTERS_EX pmc;
		GetProcessMemoryInfo(phandle,(PROCESS_MEMORY_COUNTERS *)&pmc,sizeof(pmc));
		meminfo[1] = (double)pmc.PrivateUsage/1048576.0;
		meminfo[2] = (double)pmc.PeakWorkingSetSize/1048576.0;
		#else
		#if defined(__linux__)
		struct mallinfo mi;
		mi = mallinfo();
		meminfo[1] = (double)mi.uordblks/1048576.0+(double)mi.hblkhd/1048576.0;
		#endif
		struct rusage ru;
		if (getrusage(RUSAGE_SELF, &ru) == 0)
		meminfo[2] = (double)ru.ru_maxrss/1024.0;
		#endif
		}

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

		char **Info::get_variable_names(int &num) {
		num = input->variable->nvar;
		return input->variable->names;

src/info.h

+1 −0

Original line number	Diff line number	Diff line
		@@ -52,6 +52,7 @@ class Info : protected Pointers {
		static std::string get_mpi_info(int &, int &);
		static std::string get_cxx_info();

		void get_memory_info(double *);
		char **get_variable_names(int &num);

		private:

src/output.cpp

+12 −20

Original line number	Diff line number	Diff line
		@@ -21,6 +21,7 @@
		#include "error.h"
		#include "force.h"
		#include "group.h"
		#include "info.h"
		#include "input.h"
		#include "memory.h"
		#include "modify.h"
		@@ -817,28 +818,19 @@ void Output::create_restart(int narg, char **arg)

		void Output::memory_usage()
		{
		double bytes = 0;
		bytes += atom->memory_usage();
		bytes += neighbor->memory_usage();
		bytes += comm->memory_usage();
		bytes += update->memory_usage();
		bytes += force->memory_usage();
		bytes += modify->memory_usage();
		for (int i = 0; i < ndump; i++) bytes += dump[i]->memory_usage();

		double mbytes = bytes/1024.0/1024.0;
		double mbavg,mbmin,mbmax;
		double meminfo[3];
		Info info(lmp);

		info.get_memory_info(meminfo);
		double mbytes = meminfo[0];
		double mbmin,mbavg,mbmax;
		MPI_Reduce(&mbytes,&mbavg,1,MPI_DOUBLE,MPI_SUM,0,world);
		MPI_Reduce(&mbytes,&mbmin,1,MPI_DOUBLE,MPI_MIN,0,world);
		MPI_Reduce(&mbytes,&mbmax,1,MPI_DOUBLE,MPI_MAX,0,world);

		if (comm->me == 0) {
		mbavg /= comm->nprocs;
		if (screen)
		fprintf(screen,"Per MPI rank memory allocation (min/avg/max) = "
		"%.4g \| %.4g \| %.4g Mbytes\n",mbmin,mbavg,mbmax);
		if (logfile)
		fprintf(logfile,"Per MPI rank memory allocation (min/avg/max) = "
		"%.4g \| %.4g \| %.4g Mbytes\n",mbmin,mbavg,mbmax);
		}

		if (comm->me == 0)
		utils::logmesg(lmp,fmt::format("Per MPI rank memory allocation (min/avg/"
		"max) = {:.4} \| {:.4} \| {:.4} Mbytes\n",
		mbmin,mbavg,mbmax));
		}

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