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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14220 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2015-10-30 20:04:06 +00:00
parent 0aa77408f8
commit 354e20f431
1219 changed files with 10111 additions and 10111 deletions
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26
src/finish.cpp
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@ -11,10 +11,10 @@
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#include "mpi.h"
#include "math.h"
#include "string.h"
#include "stdio.h"
#include <mpi.h>
#include <math.h>
#include <string.h>
#include <stdio.h>
#include "finish.h"
#include "timer.h"
#include "universe.h"
@ -105,7 +105,7 @@ void Finish::end(int flag)
// loop stats
if (timer->has_loop()) {
// overall loop time
time_loop = timer->get_wall(Timer::TOTAL);
@ -115,7 +115,7 @@ void Finish::end(int flag)
MPI_Allreduce(&cpu_loop,&tmp,1,MPI_DOUBLE,MPI_SUM,world);
cpu_loop = tmp/nprocs;
if (time_loop > 0.0) cpu_loop = cpu_loop/time_loop*100.0;
if (me == 0) {
int ntasks = nprocs * nthreads;
const char fmt1[] = "Loop time of %g on %d procs "
@ -147,7 +147,7 @@ void Finish::end(int flag)
} 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[] =
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);
@ -157,7 +157,7 @@ void Finish::end(int flag)
// CPU use on MPI tasks and OpenMP threads
#ifdef LMP_USER_OMP
const char fmt2[] =
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);
@ -180,7 +180,7 @@ void Finish::end(int flag)
if (timer->has_normal())
time_other = timer->get_wall(Timer::TOTAL) - timer->get_wall(Timer::ALL);
// minimization stats
if (minflag) {
@ -430,7 +430,7 @@ void Finish::end(int flag)
if (atom->molecular)
mpi_timings("Bond",timer,Timer::BOND,world,nprocs,
nthreads,me,time_loop,screen,logfile);
if (force->kspace)
mpi_timings("Kspace",timer,Timer::KSPACE,world,nprocs,
nthreads,me,time_loop,screen,logfile);
@ -464,7 +464,7 @@ void Finish::end(int flag)
}
#ifdef LMP_USER_OMP
const char thr_hdr_fmt[] =
const char thr_hdr_fmt[] =
"\nThread timing breakdown (MPI rank %d):\nTotal threaded time %.4g / %.1f%%\n";
const char thr_header[] =
"Section | min time | avg time | max time |%varavg| %total\n"
@ -540,7 +540,7 @@ void Finish::end(int flag)
nsample *= 2;
nfft = force->kspace->timing_1d(nsample,time1d);
}
time1d = nsteps * time1d / nsample;
MPI_Allreduce(&time1d,&tmp,1,MPI_DOUBLE,MPI_SUM,world);
time1d = tmp/nprocs;
@ -833,7 +833,7 @@ void mpi_timings(const char *label, Timer *t, enum Timer::ttype tt,
{
double tmp, time_max, time_min, time_sq;
double time = t->get_wall(tt);
double time_cpu = t->get_cpu(tt);
if (time/time_loop < 0.001) // insufficient timer resolution!
time_cpu = 1.0;