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use platform functions for averaging fixes

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This commit is contained in:
Axel Kohlmeyer
2021-10-04 18:13:46 -04:00
parent dd2b5b22d4
commit 7cdd82dee2
11 changed files with 106 additions and 113 deletions
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57
src/fix_ave_time.cpp
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@ -28,7 +28,6 @@
#include "variable.h"
#include <cstring>
#include <unistd.h>
using namespace LAMMPS_NS;
using namespace FixConst;
@ -274,18 +273,18 @@ FixAveTime::FixAveTime(LAMMPS *lmp, int narg, char **arg) :
if (ferror(fp))
error->one(FLERR,"Error writing file header");
filepos = ftell(fp);
filepos = platform::ftell(fp);
}
delete [] title1;
delete [] title2;
delete [] title3;
delete[] title1;
delete[] title2;
delete[] title3;
// if wildcard expansion occurred, free earg memory from expand_args()
// wait to do this until after file comment lines are printed
if (expand) {
for (int i = 0; i < nvalues; i++) delete [] earg[i];
for (int i = 0; i < nvalues; i++) delete[] earg[i];
memory->sfree(earg);
}
@ -446,24 +445,24 @@ FixAveTime::~FixAveTime()
}
}
delete [] format_user;
delete[] format_user;
delete [] which;
delete [] argindex;
delete [] value2index;
delete [] offcol;
delete [] varlen;
for (int i = 0; i < nvalues; i++) delete [] ids[i];
delete [] ids;
delete[] which;
delete[] argindex;
delete[] value2index;
delete[] offcol;
delete[] varlen;
for (int i = 0; i < nvalues; i++) delete[] ids[i];
delete[] ids;
delete [] extlist;
delete[] extlist;
if (fp && me == 0) fclose(fp);
memory->destroy(column);
delete [] vector;
delete [] vector_total;
delete[] vector;
delete[] vector_total;
memory->destroy(array);
memory->destroy(array_total);
memory->destroy(array_list);
@ -673,7 +672,7 @@ void FixAveTime::invoke_scalar(bigint ntimestep)
if (fp && me == 0) {
clearerr(fp);
if (overwrite) fseek(fp,filepos,SEEK_SET);
if (overwrite) platform::fseek(fp,filepos);
fprintf(fp,BIGINT_FORMAT,ntimestep);
for (i = 0; i < nvalues; i++) fprintf(fp,format,vector_total[i]/norm);
fprintf(fp,"\n");
@ -683,9 +682,9 @@ void FixAveTime::invoke_scalar(bigint ntimestep)
fflush(fp);
if (overwrite) {
long fileend = ftell(fp);
if ((fileend > 0) && (ftruncate(fileno(fp),fileend)))
perror("Error while tuncating output");
bigint fileend = platform::ftell(fp);
if ((fileend > 0) && (platform::ftruncate(fp,fileend)))
error->warning(FLERR,"Error while tuncating output: {}", utils::getsyserror());
}
}
}
@ -885,7 +884,7 @@ void FixAveTime::invoke_vector(bigint ntimestep)
// output result to file
if (fp && me == 0) {
if (overwrite) fseek(fp,filepos,SEEK_SET);
if (overwrite) platform::fseek(fp,filepos);
fprintf(fp,BIGINT_FORMAT " %d\n",ntimestep,nrows);
for (i = 0; i < nrows; i++) {
fprintf(fp,"%d",i+1);
@ -894,9 +893,9 @@ void FixAveTime::invoke_vector(bigint ntimestep)
}
fflush(fp);
if (overwrite) {
long fileend = ftell(fp);
if ((fileend > 0) && (ftruncate(fileno(fp),fileend)))
perror("Error while tuncating output");
bigint fileend = platform::ftell(fp);
if ((fileend > 0) && (platform::ftruncate(fp,fileend)))
error->warning(FLERR,"Error while tuncating output: {}", utils::getsyserror());
}
}
}
@ -1066,23 +1065,23 @@ void FixAveTime::options(int iarg, int narg, char **arg)
iarg += 1;
} else if (strcmp(arg[iarg],"format") == 0) {
if (iarg+2 > narg) error->all(FLERR,"Illegal fix ave/time command");
delete [] format_user;
delete[] format_user;
format_user = utils::strdup(arg[iarg+1]);
format = format_user;
iarg += 2;
} else if (strcmp(arg[iarg],"title1") == 0) {
if (iarg+2 > narg) error->all(FLERR,"Illegal fix ave/spatial command");
delete [] title1;
delete[] title1;
title1 = utils::strdup(arg[iarg+1]);
iarg += 2;
} else if (strcmp(arg[iarg],"title2") == 0) {
if (iarg+2 > narg) error->all(FLERR,"Illegal fix ave/spatial command");
delete [] title2;
delete[] title2;
title2 = utils::strdup(arg[iarg+1]);
iarg += 2;
} else if (strcmp(arg[iarg],"title3") == 0) {
if (iarg+2 > narg) error->all(FLERR,"Illegal fix ave/spatial command");
delete [] title3;
delete[] title3;
title3 = utils::strdup(arg[iarg+1]);
iarg += 2;
} else error->all(FLERR,"Illegal fix ave/time command");