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fix_report_balance.cpp
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Mon, Nov 4, 11:32

fix_report_balance.cpp
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/* ----------------------------------------------------------------------
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
http://lammps.sandia.gov, Sandia National Laboratories
Steve Plimpton, sjplimp@sandia.gov
Copyright (2003) Sandia Corporation. Under the terms of Contract
DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
certain rights in this software. This software is distributed under
the GNU General Public License.
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
/* ----------------------------------------------------------------------
Contributing author: Mike Brown (ORNL)
------------------------------------------------------------------------- */
#include "mpi.h"
#include "math.h"
#include "string.h"
#include "stdio.h"
#include "fix_report_balance.h"
#include "timer.h"
#include "atom.h"
#include "comm.h"
#include "error.h"
#include "force.h"
#include "kspace.h"
#include "memory.h"
#include "min.h"
#include "neighbor.h"
#include "neigh_list.h"
#include "neigh_request.h"
#include "output.h"
using namespace LAMMPS_NS;
/* ---------------------------------------------------------------------- */
FixReportBalance::FixReportBalance(LAMMPS *lmp, int narg, char **arg) : Fix(lmp, narg, arg)
{
writefile = 0;
MPI_Comm_rank(world,&me);
MPI_Comm_size(world,&nprocs);
if (narg == 5) {
if (strcmp(arg[3],"file") != 0)
error->all(FLERR,"Illegal fix report/balance command");
writefile = 1;
strncpy(outfile,arg[4],512);
} else if (narg != 3)
error->all(FLERR,"Illegal fix report/balance command");
}
/* ---------------------------------------------------------------------- */
FixReportBalance::~FixReportBalance()
{
}
/* ---------------------------------------------------------------------- */
int FixReportBalance::setmask()
{
int mask = 0;
mask |= POST_RUN;
return mask;
}
/* ---------------------------------------------------------------------- */
void FixReportBalance::post_run()
{
double time_other;
time_other = timer->array[TIME_LOOP] -
(timer->array[TIME_PAIR] + timer->array[TIME_BOND] +
timer->array[TIME_KSPACE] + timer->array[TIME_NEIGHBOR] +
timer->array[TIME_COMM] + timer->array[TIME_OUTPUT]);
if (me == 0 && screen) {
fprintf(screen,"---------------------------------------------\n");
fprintf(screen," Load Balance Report\n");
fprintf(screen,"---------------------------------------------\n");
fprintf(screen,"timer min avg max std\n");
fprintf(screen,"---------------------------------------------\n");
}
if (me == 0 && logfile) {
fprintf(logfile,"---------------------------------------------\n");
fprintf(logfile," Load Balance Report\n");
fprintf(logfile,"---------------------------------------------\n");
fprintf(logfile,"timer min avg max std\n");
fprintf(logfile,"---------------------------------------------\n");
}
double **timer_mat = memory->create(timer_mat,6,nprocs,"report/balance");
report_time(timer->array[TIME_PAIR],"pair ",timer_mat[0]);
report_time(timer->array[TIME_NEIGHBOR],"neigh ",timer_mat[1]);
report_time(timer->array[TIME_COMM],"comm ",timer_mat[2]);
report_time(timer->array[TIME_BOND],"bond ",timer_mat[3]);
report_time(timer->array[TIME_KSPACE],"kspace ",timer_mat[4]);
report_time(time_other,"other ",timer_mat[5]);
if (writefile) {
if (me == 0) {
FILE *fp = fopen(outfile,"w");
if (fp == NULL) {
char str[612];
sprintf(str,"Cannot open fix report/balance file %s",outfile);
error->one(FLERR,str);
}
output_per_process(fp,timer_mat);
fclose(fp);
} else
output_per_process(NULL,timer_mat);
}
memory->destroy(timer_mat);
if (me == 0 && screen)
fprintf(screen,"---------------------------------------------\n");
if (me == 0 && logfile)
fprintf(logfile,"---------------------------------------------\n");
}
/* ---------------------------------------------------------------------- */
void FixReportBalance::report_time(double ptime, const char *name,
double *ptimes)
{
double min_time, max_time, avg_time, std_time;
MPI_Gather(&ptime,1,MPI_DOUBLE,ptimes,1,MPI_DOUBLE,0,world);
if (me == 0) {
min_time = max_time = avg_time = ptimes[0];
for (int i = 1; i < nprocs; i++) {
min_time = MIN(min_time,ptimes[i]);
max_time = MAX(max_time,ptimes[i]);
avg_time += ptimes[i];
}
avg_time /= nprocs;
std_time = 0.0;
for (int i = 0; i < nprocs; i++) {
double st = ptimes[i] - avg_time;
std_time += st * st;
}
std_time = sqrt(std_time/nprocs);
if (screen)
fprintf(screen,"%s %.3f %.3f %.3f %.3f\n",name,min_time,avg_time,
max_time,std_time);
if (logfile)
fprintf(logfile,"%s %.3f %.3f %.3f %.3f\n",name,min_time,avg_time,
max_time,std_time);
}
}
/* ---------------------------------------------------------------------- */
void FixReportBalance::output_per_process(FILE *fp, double **mat)
{
int name_length;
char node_name[MPI_MAX_PROCESSOR_NAME];
char node_names[MPI_MAX_PROCESSOR_NAME*nprocs];
MPI_Get_processor_name(node_name,&name_length);
MPI_Gather(&node_name,MPI_MAX_PROCESSOR_NAME,MPI_CHAR,&node_names,
MPI_MAX_PROCESSOR_NAME,MPI_CHAR,0,world);
if (fp) {
fprintf(fp,"# plot '%s' using 1:3 title 'pair' with lines, ",outfile);
fprintf(fp,"'%s' using 1:4 title 'neigh' with lines, ",outfile);
fprintf(fp,"'%s' using 1:5 title 'comm' with lines, ",outfile);
fprintf(fp,"'%s' using 1:6 title 'bond' with lines, ",outfile);
fprintf(fp,"'%s' using 1:7 title 'kspace' with lines, ",outfile);
fprintf(fp,"'%s' using 1:8 title 'other' with lines\n",outfile);
fprintf(fp,"#\n#\n");
fprintf(fp,"# rank node pair neigh comm bond kspace other\n");
for (int i = 0; i < nprocs; i++)
fprintf(fp,"%d %s %.3f %.3f %.3f %.3f %.3f %.3f\n",i,
&node_names[i*MPI_MAX_PROCESSOR_NAME],mat[0][i],mat[1][i],
mat[2][i],mat[3][i],mat[4][i],mat[5][i]);
}
}

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