consolidate memory allocation information into a single function (in Info)

doc/src/pg_lib_properties.rst

@@ -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

@@ -315,41 +315,23 @@ void Info::command(int narg, char **arg)
   }
 
   if (flags & MEMORY) {
+    double meminfo[3];
+
+    get_memory_info(meminfo);
 
     fputs("\nMemory allocation information (MPI rank 0):\n\n",out);
-
+    fmt::print(out,"Total dynamically allocated memory: {:.4} Mbyte\n",
-    double bytes = 0;
+               meminfo[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);
 
 #if defined(_WIN32)
-    HANDLE phandle = GetCurrentProcess();
+    fmt::print(out,"Non-shared memory use: {:.4} Mbyte\n",meminfo[1]);
-    PROCESS_MEMORY_COUNTERS_EX pmc;
+    fmt::print(out,"Maximum working set size: {:.4} Mbyte\n",meminfo[2]);
-    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);
 #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;
+    fmt::print(out,"Maximum resident set size: {:.4} Mbyte\n",meminfo[2]);
-    if (getrusage(RUSAGE_SELF, &ru) == 0) {
-      fmt::print(out,"Maximum resident set size: {:.4} Mbyte\n",
-                 (double)ru.ru_maxrss/1024.0);
-    }
 #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

@@ -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

@@ -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;
+  double meminfo[3];
-  bytes += atom->memory_usage();
+  Info info(lmp);
-  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;
+  info.get_memory_info(meminfo);
-  double mbavg,mbmin,mbmax;
+  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) = "
+  if (comm->me == 0)
-              "%.4g | %.4g | %.4g Mbytes\n",mbmin,mbavg,mbmax);
+    utils::logmesg(lmp,fmt::format("Per MPI rank memory allocation (min/avg/"
-    if (logfile)
+                                   "max) = {:.4} | {:.4} | {:.4} Mbytes\n",
-      fprintf(logfile,"Per MPI rank memory allocation (min/avg/max) = "
+                                   mbmin,mbavg,mbmax));
-              "%.4g | %.4g | %.4g Mbytes\n",mbmin,mbavg,mbmax);
-  }
 }