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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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39
src/fix_ave_chunk.cpp
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@ -29,7 +29,6 @@
#include "variable.h"
#include <cstring>
#include <unistd.h>
using namespace LAMMPS_NS;
using namespace FixConst;
@ -216,23 +215,23 @@ FixAveChunk::FixAveChunk(LAMMPS *lmp, int narg, char **arg) :
iarg += 1;
} else if (strcmp(arg[iarg],"format") == 0) {
if (iarg+2 > narg) error->all(FLERR,"Illegal fix ave/chunk 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/chunk 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/chunk 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/chunk command");
delete [] title3;
delete[] title3;
title3 = utils::strdup(arg[iarg+1]);
iarg += 2;
} else error->all(FLERR,"Illegal fix ave/chunk command");
@ -348,18 +347,18 @@ FixAveChunk::FixAveChunk(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 < nargnew; i++) delete [] earg[i];
for (int i = 0; i < nargnew; i++) delete[] earg[i];
memory->sfree(earg);
}
@ -407,11 +406,11 @@ FixAveChunk::FixAveChunk(LAMMPS *lmp, int narg, char **arg) :
FixAveChunk::~FixAveChunk()
{
delete [] which;
delete [] argindex;
for (int i = 0; i < nvalues; i++) delete [] ids[i];
delete [] ids;
delete [] value2index;
delete[] which;
delete[] argindex;
for (int i = 0; i < nvalues; i++) delete[] ids[i];
delete[] ids;
delete[] value2index;
if (fp && comm->me == 0) fclose(fp);
@ -438,7 +437,7 @@ FixAveChunk::~FixAveChunk()
}
}
delete [] idchunk;
delete[] idchunk;
which = nullptr;
argindex = nullptr;
ids = nullptr;
@ -941,7 +940,7 @@ void FixAveChunk::end_of_step()
if (fp && comm->me == 0) {
clearerr(fp);
if (overwrite) fseek(fp,filepos,SEEK_SET);
if (overwrite) platform::fseek(fp,filepos);
double count = 0.0;
for (m = 0; m < nchunk; m++) count += count_total[m];
fprintf(fp,BIGINT_FORMAT " %d %g\n",ntimestep,nchunk,count);
@ -1027,9 +1026,9 @@ void FixAveChunk::end_of_step()
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());
}
}
}