src/gromacs/mdrunutility/printtime.cpp

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