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/**********************************************************************
Maketest.c:
Maketest.c is a subroutine to generate *.out files which will be
used to check whether OpenMX runs normally on many platforms or not.
Log of Maketest.c:
25/Oct/2004 Released by T.Ozaki
***********************************************************************/
#include <stdio.h>
#include <stdlib.h>
#include <math.h>
#include <string.h>
#include <time.h>
/* stat section */
#include <sys/types.h>
#include <sys/stat.h>
#include <unistd.h>
/* end stat section */
#include "openmx_common.h"
#include "Inputtools.h"
#include "mpi.h"
void Maketest(char *mode, int argc, char *argv[])
{
FILE *fp0,*fp1,*fp2;
static int Num_DatFiles,i;
static char fname0[YOUSO10];
static char fname1[YOUSO10];
static char fname_dat[YOUSO10];
static char fname_dat2[YOUSO10];
static char operate[800];
char namemode[YOUSO10];
char *dir;
printf("\n*******************************************************\n");
printf("*******************************************************\n");
printf(" Welcome to OpenMX Ver. %s \n",Version_OpenMX);
printf(" Copyright (C), 2002-2009, T.Ozaki \n");
printf(" OpenMX comes with ABSOLUTELY NO WARRANTY. \n");
printf(" This is free software, and you are welcome to \n");
printf(" redistribute it under the constitution of the GNU-GPL.\n");
printf("*******************************************************\n");
printf("*******************************************************\n\n\n");
if (strcasecmp(mode,"S")==0){
dir = "input_example";
sprintf(namemode,"runtest");
}
else if (strcasecmp(mode,"L")==0){
dir = "large_example";
sprintf(namemode,"runtestL");
}
else if (strcasecmp(mode,"L2")==0){
dir = "large2_example";
sprintf(namemode,"runtestL2");
}
else if (strcasecmp(mode,"G")==0){
dir = "geoopt_example";
sprintf(namemode,"runtestG");
}
else if (strcasecmp(mode,"C")==0){
dir = "cellopt_example";
sprintf(namemode,"runtestC");
}
else if (strcasecmp(mode,"WF")==0){
dir = "wf_example";
sprintf(namemode,"runtestWF");
}
else if (strcasecmp(mode,"NEGF")==0){
dir = "negf_example";
sprintf(namemode,"runtestNEGF");
}
/* print std */
printf("\n");
printf(" OpenMX is now in the mode in making of *.out files\n");
printf(" which will be used in the test mode '%s'.\n",namemode);
printf("\n");
sprintf(operate,"ls %s/*.dat > ls_dat000000",dir);
system(operate);
sprintf(operate,"wc ls_dat000000 > ls_dat000001");
system(operate);
sprintf(fname0,"ls_dat000000");
sprintf(fname1,"ls_dat000001");
if ( ((fp0 = fopen(fname0,"r")) != NULL) &&
((fp1 = fopen(fname1,"r")) != NULL) )
{
fscanf(fp1,"%i",&Num_DatFiles);
printf(" %2d dat files are found in the directory '%s'.\n\n\n",Num_DatFiles,dir);
for (i=0; i<Num_DatFiles; i++){
fscanf(fp0,"%s",fname_dat);
if (argc==2) sprintf(operate,"./openmx %s",fname_dat);
else if (argc==3) sprintf(operate,"%s %s",argv[2],fname_dat);
system(operate);
input_open(fname_dat);
input_string("System.Name",fname_dat2,"default");
sprintf(operate,"cp %s.out %s/",fname_dat2,dir);
system(operate);
input_close();
}
fclose(fp0);
fclose(fp1);
}
else{
printf("Could not find ls_dat000000 or ls_dat000001\n");
exit(1);
}
sprintf(operate,"rm ls_dat000000");
system(operate);
sprintf(operate,"rm ls_dat000001");
system(operate);
printf("\n\n\n\n");
printf("Generated out files are stored in the directory '%s'.\n\n\n",dir);
}
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