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apply new logmesg() overload to a bunch of cases.

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This commit is contained in:
Axel Kohlmeyer
2021-04-21 22:53:41 -04:00
parent 0cf1252f1f
commit d2cdb318ab
42 changed files with 259 additions and 297 deletions
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112
src/finish.cpp
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@ -121,9 +121,9 @@ void Finish::end(int flag)
if (me == 0) {
int ntasks = nprocs * nthreads;
utils::logmesg(lmp,fmt::format("Loop time of {:.6g} on {} procs for "
"{} steps with {} atoms\n\n",time_loop,
ntasks,update->nsteps,atom->natoms));
utils::logmesg(lmp,"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
@ -141,20 +141,18 @@ 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;
utils::logmesg(lmp,fmt::format("Performance: {:.3f} tau/day, {:.3f} "
"timesteps/s\n",tau_day,step_t));
utils::logmesg(lmp,"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;
utils::logmesg(lmp,fmt::format("Performance: {:.3f} fs/day, {:.3f} "
"hours/fs, {:.3f} timesteps/s\n",
fs_day,hrs_fs,step_t));
utils::logmesg(lmp,"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;
utils::logmesg(lmp,fmt::format("Performance: {:.3f} ns/day, {:.3f} "
"hours/ns, {:.3f} timesteps/s\n",
ns_day,hrs_ns,step_t));
utils::logmesg(lmp,"Performance: {:.3f} ns/day, {:.3f} hours/ns, "
"{:.3f} timesteps/s\n",ns_day,hrs_ns,step_t);
}
}
@ -162,17 +160,15 @@ void Finish::end(int flag)
if (timeflag) {
if (lmp->kokkos) {
utils::logmesg(lmp,fmt::format("{:.1f}% CPU use with {} MPI tasks "
"x {} OpenMP threads\n",cpu_loop,nprocs,
lmp->kokkos->nthreads));
utils::logmesg(lmp,"{:.1f}% CPU use with {} MPI tasks x {} OpenMP "
"threads\n",cpu_loop,nprocs,lmp->kokkos->nthreads);
} else {
#if defined(_OPENMP)
utils::logmesg(lmp,fmt::format("{:.1f}% CPU use with {} MPI tasks "
"x {} OpenMP threads\n",
cpu_loop,nprocs,nthreads));
utils::logmesg(lmp,"{:.1f}% CPU use with {} MPI tasks x {} OpenMP "
"threads\n",cpu_loop,nprocs,nthreads);
#else
utils::logmesg(lmp,fmt::format("{:.1f}% CPU use with {} MPI tasks "
"x no OpenMP threads\n",cpu_loop,nprocs));
utils::logmesg(lmp,"{:.1f}% CPU use with {} MPI tasks "
"x no OpenMP threads\n",cpu_loop,nprocs);
#endif
}
}
@ -225,33 +221,33 @@ void Finish::end(int flag)
time = timer->get_wall(Timer::DEPHASE);
MPI_Allreduce(&time,&tmp,1,MPI_DOUBLE,MPI_SUM,world);
time = tmp/nprocs;
if (me == 0) utils::logmesg(lmp,fmt::format(" Dephase time (%) = {} ({})\n",
time,time/time_loop*100.0));
if (me == 0) utils::logmesg(lmp," Dephase time (%) = {} ({})\n",
time,time/time_loop*100.0);
time = timer->get_wall(Timer::DYNAMICS);
MPI_Allreduce(&time,&tmp,1,MPI_DOUBLE,MPI_SUM,world);
time = tmp/nprocs;
if (me == 0) utils::logmesg(lmp,fmt::format(" Dynamics time (%) = {} ({})\n",
time,time/time_loop*100.0));
if (me == 0) utils::logmesg(lmp," Dynamics time (%) = {} ({})\n",
time,time/time_loop*100.0);
time = timer->get_wall(Timer::QUENCH);
MPI_Allreduce(&time,&tmp,1,MPI_DOUBLE,MPI_SUM,world);
time = tmp/nprocs;
if (me == 0) utils::logmesg(lmp,fmt::format(" Quench time (%) = {} ({})\n",
time,time/time_loop*100.0));
if (me == 0) utils::logmesg(lmp," Quench time (%) = {} ({})\n",
time,time/time_loop*100.0);
time = timer->get_wall(Timer::REPCOMM);
MPI_Allreduce(&time,&tmp,1,MPI_DOUBLE,MPI_SUM,world);
time = tmp/nprocs;
if (me == 0) utils::logmesg(lmp,fmt::format(" Comm time (%) = {} ({})\n",
time,time/time_loop*100.0));
if (me == 0) utils::logmesg(lmp," Comm time (%) = {} ({})\n",
time,time/time_loop*100.0);
time = timer->get_wall(Timer::REPOUT);
MPI_Allreduce(&time,&tmp,1,MPI_DOUBLE,MPI_SUM,world);
time = tmp/nprocs;
if (me == 0) utils::logmesg(lmp,fmt::format(" Output time (%) = {} ({})\n",
time,time/time_loop*100.0));
if (me == 0) utils::logmesg(lmp," Output time (%) = {} ({})\n",
time,time/time_loop*100.0);
time = time_other;
MPI_Allreduce(&time,&tmp,1,MPI_DOUBLE,MPI_SUM,world);
time = tmp/nprocs;
if (me == 0) utils::logmesg(lmp,fmt::format(" Other time (%) = {} ({})\n",
time,time/time_loop*100.0));
if (me == 0) utils::logmesg(lmp," Other time (%) = {} ({})\n",
time,time/time_loop*100.0);
}
// TAD stats
@ -262,33 +258,33 @@ void Finish::end(int flag)
time = timer->get_wall(Timer::NEB);
MPI_Allreduce(&time,&tmp,1,MPI_DOUBLE,MPI_SUM,world);
time = tmp/nprocs;
if (me == 0) utils::logmesg(lmp,fmt::format(" NEB time (%) = {} ({})\n",
time,time/time_loop*100.0));
if (me == 0) utils::logmesg(lmp," NEB time (%) = {} ({})\n",
time,time/time_loop*100.0);
time = timer->get_wall(Timer::DYNAMICS);
MPI_Allreduce(&time,&tmp,1,MPI_DOUBLE,MPI_SUM,world);
time = tmp/nprocs;
if (me == 0) utils::logmesg(lmp,fmt::format(" Dynamics time (%) = {} ({})\n",
time,time/time_loop*100.0));
if (me == 0) utils::logmesg(lmp," Dynamics time (%) = {} ({})\n",
time,time/time_loop*100.0);
time = timer->get_wall(Timer::QUENCH);
MPI_Allreduce(&time,&tmp,1,MPI_DOUBLE,MPI_SUM,world);
time = tmp/nprocs;
if (me == 0) utils::logmesg(lmp,fmt::format(" Quench time (%) = {} ({})\n",
time,time/time_loop*100.0));
if (me == 0) utils::logmesg(lmp," Quench time (%) = {} ({})\n",
time,time/time_loop*100.0);
time = timer->get_wall(Timer::REPCOMM);
MPI_Allreduce(&time,&tmp,1,MPI_DOUBLE,MPI_SUM,world);
time = tmp/nprocs;
if (me == 0) utils::logmesg(lmp,fmt::format(" Comm time (%) = {} ({})\n",
time,time/time_loop*100.0));
if (me == 0) utils::logmesg(lmp," Comm time (%) = {} ({})\n",
time,time/time_loop*100.0);
time = timer->get_wall(Timer::REPOUT);
MPI_Allreduce(&time,&tmp,1,MPI_DOUBLE,MPI_SUM,world);
time = tmp/nprocs;
if (me == 0) utils::logmesg(lmp,fmt::format(" Output time (%) = {} ({})\n",
time,time/time_loop*100.0));
if (me == 0) utils::logmesg(lmp," Output time (%) = {} ({})\n",
time,time/time_loop*100.0);
time = time_other;
MPI_Allreduce(&time,&tmp,1,MPI_DOUBLE,MPI_SUM,world);
time = tmp/nprocs;
if (me == 0) utils::logmesg(lmp,fmt::format(" Other time (%) = {} ({})\n",
time,time/time_loop*100.0));
if (me == 0) utils::logmesg(lmp," Other time (%) = {} ({})\n",
time,time/time_loop*100.0);
}
// HYPER stats
@ -299,18 +295,18 @@ void Finish::end(int flag)
time = timer->get_wall(Timer::DYNAMICS);
MPI_Allreduce(&time,&tmp,1,MPI_DOUBLE,MPI_SUM,world);
time = tmp/nprocs;
if (me == 0) utils::logmesg(lmp,fmt::format(" Dynamics time (%) = {} ({})\n",
time,time/time_loop*100.0));
if (me == 0) utils::logmesg(lmp," Dynamics time (%) = {} ({})\n",
time,time/time_loop*100.0);
time = timer->get_wall(Timer::QUENCH);
MPI_Allreduce(&time,&tmp,1,MPI_DOUBLE,MPI_SUM,world);
time = tmp/nprocs;
if (me == 0) utils::logmesg(lmp,fmt::format(" Quench time (%) = {} ({})\n",
time,time/time_loop*100.0));
if (me == 0) utils::logmesg(lmp," Quench time (%) = {} ({})\n",
time,time/time_loop*100.0);
time = time_other;
MPI_Allreduce(&time,&tmp,1,MPI_DOUBLE,MPI_SUM,world);
time = tmp/nprocs;
if (me == 0) utils::logmesg(lmp,fmt::format(" Other time (%) = {} ({})\n",
time,time/time_loop*100.0));
if (me == 0) utils::logmesg(lmp," Other time (%) = {} ({})\n",
time,time/time_loop*100.0);
}
// further timing breakdowns
@ -358,13 +354,11 @@ void Finish::end(int flag)
if (me == 0) {
if (timer->has_full())
utils::logmesg(lmp,fmt::format("Other | | {:<10.4g} | "
" | | |{:6.2f}\n",
time,time/time_loop*100.0));
utils::logmesg(lmp,"Other | | {:<10.4g} | | "
" | |{:6.2f}\n",time,time/time_loop*100.0);
else
utils::logmesg(lmp,fmt::format("Other | | {:<10.4g} | "
" | |{:6.2f}\n",
time,time/time_loop*100.0));
utils::logmesg(lmp,"Other | | {:<10.4g} | | "
" |{:6.2f}\n",time,time/time_loop*100.0);
}
}
@ -388,7 +382,7 @@ void Finish::end(int flag)
"\nThread timing breakdown (MPI rank {}):\nTotal threaded time {:.4g} / {:.1f}%\n"
"Section | min time | avg time | max time |%varavg| %total\n"
"---------------------------------------------------------------\n";
utils::logmesg(lmp,fmt::format(thr_fmt,me,thr_total,thr_total/time_loop*100.0));
utils::logmesg(lmp,thr_fmt,me,thr_total,thr_total/time_loop*100.0);
omp_times(fixomp,"Pair",Timer::PAIR,nthreads,screen,logfile);
if (atom->molecular != Atom::ATOMIC)
@ -460,9 +454,9 @@ void Finish::end(int flag)
} else fraction = flop3 = flop1 = 0.0;
if (me == 0)
utils::logmesg(lmp,fmt::format("FFT time (% of Kspce) = {:.6} ({:.4})\n"
"FFT Gflps 3d (1d only) = {:.8} {:.8}\n",
time3d,fraction,flop3,flop1));
utils::logmesg(lmp,"FFT time (% of Kspce) = {:.6} ({:.4})\n"
"FFT Gflps 3d (1d only) = {:.8} {:.8}\n",
time3d,fraction,flop3,flop1);
}
if (histoflag) {