reimplement wallclock timeout in timer class instead of update.

src/timer.cpp

@@ -16,6 +16,7 @@
 #include "timer.h"
 #include "comm.h"
 #include "error.h"
+#include "force.h"
 #include "memory.h"
 
 #ifdef _WIN32
@@ -26,8 +27,38 @@
 #include <sys/resource.h>
 #endif
 
+#include <stdlib.h>
+#include <time.h>
+
 using namespace LAMMPS_NS;
 
+// convert a timespec ([[HH:]MM:]SS) to seconds
+// the strings "off" and "unlimited" result in -1;
+
+static double timespec2seconds(char *timespec)
+{
+  double vals[3];
+  char *num;
+  int i = 0;
+
+  // first handle allowed textual inputs
+  if (strcmp(timespec,"off") == 0) return -1;
+  if (strcmp(timespec,"unlimited") == 0) return -1;
+
+  vals[0] = vals[1] = vals[2] = 0;
+
+  num = strtok(timespec,":");
+  while ((num != NULL) && (i < 3)) {
+    vals[i] = atoi(num);
+    ++i;
+    num = strtok(NULL,":");
+  }
+
+  if (i == 3) return (vals[0]*60 + vals[1])*60 + vals[2];
+  else if (i == 2) return vals[0]*60 + vals[1];
+  else return vals[0];
+}
+
 // Return the CPU time for the current process in seconds very
 // much in the same way as MPI_Wtime() returns the wall time.
 
@@ -64,6 +95,9 @@ Timer::Timer(LAMMPS *lmp) : Pointers(lmp)
 {
   _level = NORMAL;
   _sync  = OFF;
+  _timeout = -1.0;
+  _checkfreq = 10;
+  _nextcheck = -1;
 }
 
 /* ---------------------------------------------------------------------- */
@@ -176,12 +210,57 @@ void Timer::set_wall(enum ttype which, double newtime)
   wall_array[which] = newtime;
 }
 
+/* ---------------------------------------------------------------------- */
+
+void Timer::init_timeout()
+{
+  if (_timeout < 0)
+    _nextcheck = -1;
+  else
+    _nextcheck = _checkfreq;
+}
+
+/* ---------------------------------------------------------------------- */
+
+void Timer::print_timeout(FILE *fp)
+{
+  if (!fp) return;
+
+  // format timeout setting
+  if (_timeout > 0) {
+    char timebuf[32];
+    time_t tv = _timeout - (MPI_Wtime() - timeout_start);
+    struct tm *tm = gmtime(&tv);
+    strftime(timebuf,32,"%H:%M:%S",tm);
+    fprintf(fp,"  Walltime left: %s\n",timebuf);
+  }
+}
+
+/* ---------------------------------------------------------------------- */
+
+bool Timer::_check_timeout()
+{
+  double walltime = MPI_Wtime() - timeout_start;
+  // broadcast time to insure all ranks act the same.
+  MPI_Bcast(&walltime,1,MPI_DOUBLE,0,world);
+
+  if (walltime < _timeout) {
+    _nextcheck += _checkfreq;
+    return false;
+  } else {
+    if (comm->me == 0)
+      error->warning(FLERR,"Wall time limit reached");
+    _timeout = 0.0;
+    return true;
+  }
+}
+
 /* ----------------------------------------------------------------------
    modify parameters of the Timer class
 ------------------------------------------------------------------------- */
 static const char *timer_style[] = { "off", "loop", "normal", "full" };
 static const char *timer_mode[]  = { "nosync", "(dummy)", "sync" };
-static const char  timer_fmt[]   = "New timer settings: style=%s  mode=%s\n";
+static const char  timer_fmt[]   = "New timer settings: style=%s  mode=%s  timeout=%s\n";
 
 void Timer::modify_params(int narg, char **arg)
 {
@@ -199,14 +278,37 @@ void Timer::modify_params(int narg, char **arg)
       _sync  = OFF;
     } else if (strcmp(arg[iarg],timer_mode[NORMAL])  == 0) {
       _sync  = NORMAL;
+    } else if (strcmp(arg[iarg],"timeout") == 0) {
+      ++iarg;
+      if (iarg < narg) {
+        _timeout = timespec2seconds(arg[iarg]);
+      } else error->all(FLERR,"Illegal timers command");
+    } else if (strcmp(arg[iarg],"every") == 0) {
+      ++iarg;
+      if (iarg < narg) {
+        _checkfreq = force->inumeric(FLERR,arg[iarg]);
+        if (_checkfreq <= 0)
+          error->all(FLERR,"Illegal timers command");
+      } else error->all(FLERR,"Illegal timers command");
     } else error->all(FLERR,"Illegal timers command");
     ++iarg;  
   }
 
+  timeout_start = MPI_Wtime();
   if (comm->me == 0) {
+
+    // format timeout setting
+    char timebuf[32];
+    if (_timeout < 0) strcpy(timebuf,"off");
+    else {
+      time_t tv = _timeout;
+      struct tm *tm = gmtime(&tv);
+      strftime(timebuf,32,"%H:%M:%S",tm);
+    }
+
     if (screen)
-      fprintf(screen,timer_fmt,timer_style[_level],timer_mode[_sync]);
+      fprintf(screen,timer_fmt,timer_style[_level],timer_mode[_sync],timebuf);
     if (logfile)
-      fprintf(logfile,timer_fmt,timer_style[_level],timer_mode[_sync]);
+      fprintf(logfile,timer_fmt,timer_style[_level],timer_mode[_sync],timebuf);
   }
 }