ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

simplify output handling in Finish class

Browse Source
This commit is contained in:
Axel Kohlmeyer
2020-06-26 08:04:07 -04:00
parent c4855d95e7
commit f56563c747
1 changed files with 21 additions and 32 deletions
Download Patch File Download Diff File Expand all files Collapse all files

53
src/finish.cpp
View File

@ -32,6 +32,8 @@
#include "error.h"
#include "timer.h"
#include "universe.h"
#include "utils.h"
#include "fmt/format.h"
#ifdef LMP_USER_OMP
#include "modify.h"
@ -121,12 +123,9 @@ void Finish::end(int flag)
if (me == 0) {
int ntasks = nprocs * nthreads;
const char fmt1[] = "Loop time of %g on %d procs "
"for %d steps with " BIGINT_FORMAT " atoms\n\n";
if (screen) fprintf(screen,fmt1,time_loop,ntasks,update->nsteps,
atom->natoms);
if (logfile) fprintf(logfile,fmt1,time_loop,ntasks,update->nsteps,
atom->natoms);
utils::logmesg(lmp,fmt::format("Loop time of {:.6g} on {} procs for "
"{} steps with {} atoms\n\n",time_loop,
ntasks,update->nsteps,atom->natoms));
// Gromacs/NAMD-style performance metric for suitable unit settings
@ -144,24 +143,20 @@ void Finish::end(int flag)
if (strcmp(update->unit_style,"lj") == 0) {
double tau_day = 24.0*3600.0 / t_step * update->dt / one_fs;
const char perf[] = "Performance: %.3f tau/day, %.3f timesteps/s\n";
if (screen) fprintf(screen,perf,tau_day,step_t);
if (logfile) fprintf(logfile,perf,tau_day,step_t);
utils::logmesg(lmp,fmt::format("Performance: {:.3f} tau/day, {:.3f} "
"timesteps/s\n",tau_day,step_t));
} else if (strcmp(update->unit_style,"electron") == 0) {
double hrs_fs = t_step / update->dt * one_fs / 3600.0;
double fs_day = 24.0*3600.0 / t_step * update->dt / one_fs;
const char perf[] =
"Performance: %.3f fs/day, %.3f hours/fs, %.3f timesteps/s\n";
if (screen) fprintf(screen,perf,fs_day,hrs_fs,step_t);
if (logfile) fprintf(logfile,perf,fs_day,hrs_fs,step_t);
utils::logmesg(lmp,fmt::format("Performance: {:.3f} fs/day, {:.3f} "
"hours/fs, {:.3f} timesteps/s\n",
fs_day,hrs_fs,step_t));
} else {
double hrs_ns = t_step / update->dt * 1000000.0 * one_fs / 3600.0;
double ns_day = 24.0*3600.0 / t_step * update->dt / one_fs/1000000.0;
const char perf[] =
"Performance: %.3f ns/day, %.3f hours/ns, %.3f timesteps/s\n";
if (screen) fprintf(screen,perf,ns_day,hrs_ns,step_t);
if (logfile) fprintf(logfile,perf,ns_day,hrs_ns,step_t);
utils::logmesg(lmp,fmt::format("Performance: {:.3f} ns/day, {:.3f} "
"hours/ns, {:.3f} timesteps/s\n",
ns_day,hrs_ns,step_t));
}
}
@ -169,23 +164,17 @@ void Finish::end(int flag)
if (timeflag) {
if (lmp->kokkos) {
const char fmt2[] =
"%.1f%% CPU use with %d MPI tasks x %d OpenMP threads\n";
if (screen) fprintf(screen,fmt2,cpu_loop,nprocs,
lmp->kokkos->nthreads);
if (logfile) fprintf(logfile,fmt2,cpu_loop,nprocs,
lmp->kokkos->nthreads);
utils::logmesg(lmp,fmt::format("{:.1f}% CPU use with {} MPI tasks "
"x {} OpenMP threads\n",cpu_loop,nprocs,
lmp->kokkos->nthreads));
} else {
#if defined(_OPENMP)
const char fmt2[] =
"%.1f%% CPU use with %d MPI tasks x %d OpenMP threads\n";
if (screen) fprintf(screen,fmt2,cpu_loop,nprocs,nthreads);
if (logfile) fprintf(logfile,fmt2,cpu_loop,nprocs,nthreads);
utils::logmesg(lmp,fmt::format("{:.1f}% CPU use with {} MPI tasks "
"x {} OpenMP threads\n",
cpu_loop,nprocs,nthreads));
#else
const char fmt2[] =
"%.1f%% CPU use with %d MPI tasks x no OpenMP threads\n";
if (screen) fprintf(screen,fmt2,cpu_loop,nprocs);
if (logfile) fprintf(logfile,fmt2,cpu_loop,nprocs);
utils::logmesg(lmp,fmt::format("{:.1f}% CPU use with {} MPI tasks "
"x no OpenMP threads\n",cpu_loop,nprocs));
#endif
}
}