src/gromacs/mdrunutility/printtime.cpp

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  37 #include "gmxpre.h"
  38
  39 #include "printtime.h"
  40
  41 #include "config.h"
  42
  43 #include "gromacs/mdtypes/commrec.h"
  44 #include "gromacs/mdtypes/inputrec.h"
  45 #include "gromacs/timing/walltime_accounting.h"
  46 #include "gromacs/utility/cstringutil.h"
  47 #include "gromacs/utility/strconvert.h"
  48 #include "gromacs/utility/sysinfo.h"
  49
  50 void print_time(FILE                     *out,
  51                 gmx_walltime_accounting_t walltime_accounting,
  52                 int64_t                   step,
  53                 const t_inputrec         *ir,
  54                 const t_commrec          *cr)
  55 {
  56     time_t finish;
  57     double dt, elapsed_seconds, time_per_step;
  58
  59 #if !GMX_THREAD_MPI
  60     if (!PAR(cr))
  61 #endif
  62     {
  63         fprintf(out, "\r");
  64     }
  65     fputs("step ", out);
  66     fputs(gmx::int64ToString(step).c_str(), out);
  67     fflush(out);
  68
  69     if ((step >= ir->nstlist))
  70     {
  71         double seconds_since_epoch = gmx_gettime();
  72         elapsed_seconds = seconds_since_epoch - walltime_accounting_get_start_time_stamp(walltime_accounting);
  73         time_per_step   = elapsed_seconds/(step - ir->init_step + 1);
  74         dt              = (ir->nsteps + ir->init_step - step) * time_per_step;
  75
  76         if (ir->nsteps >= 0)
  77         {
  78             if (dt >= 300)
  79             {
  80                 finish = static_cast<time_t>(seconds_since_epoch + dt);
  81                 auto timebuf = gmx_ctime_r(&finish);
  82                 timebuf.erase(timebuf.find_first_of('\n'));
  83                 fputs(", will finish ", out);
  84                 fputs(timebuf.c_str(), out);
  85             }
  86             else
  87             {
  88                 fprintf(out, ", remaining wall clock time: %5d s          ", static_cast<int>(dt));
  89             }
  90         }
  91         else
  92         {
  93             fprintf(out, " performance: %.1f ns/day    ",
  94                     ir->delta_t/1000*24*60*60/time_per_step);
  95         }
  96     }
  97 #if !GMX_THREAD_MPI
  98     if (PAR(cr))
  99     {
 100         fprintf(out, "\n");
 101     }
 102 #else
 103     GMX_UNUSED_VALUE(cr);
 104 #endif
 105
 106     fflush(out);
 107 }
 108
 109 void print_date_and_time(FILE *fplog, int nodeid, const char *title,
 110                          double the_time)
 111 {
 112     if (!fplog)
 113     {
 114         return;
 115     }
 116
 117     time_t temp_time = static_cast<time_t>(the_time);
 118
 119     auto   timebuf = gmx_ctime_r(&temp_time);
 120
 121     fprintf(fplog, "%s on rank %d %s\n", title, nodeid, timebuf.c_str());
 122 }
 123
 124 void print_start(FILE *fplog, const t_commrec *cr,
 125                  gmx_walltime_accounting_t walltime_accounting,
 126                  const char *name)
 127 {
 128     char buf[STRLEN];
 129
 130     sprintf(buf, "Started %s", name);
 131     print_date_and_time(fplog, cr->nodeid, buf,
 132                         walltime_accounting_get_start_time_stamp(walltime_accounting));
 133 }