ICODE-ADC/lammps
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more local buffers removed and file error status added.

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This commit is contained in:
Axel Kohlmeyer
2020-06-04 19:46:35 -04:00
parent 62ee8d41f3
commit 54a8b4e08b
15 changed files with 152 additions and 146 deletions
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26
src/universe.cpp
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@ -20,6 +20,8 @@
#include "error.h"
#include "force.h"
#include "memory.h"
#include "utils.h"
#include "fmt/format.h"
using namespace LAMMPS_NS;
@ -96,7 +98,10 @@ void Universe::reorder(char *style, char *arg)
if (me == 0) {
FILE *fp = fopen(arg,"r");
if (fp == NULL) error->universe_one(FLERR,"Cannot open -reorder file");
if (fp == NULL)
error->universe_one(FLERR,fmt::format("Cannot open -reorder "
"file {}: {}",arg,
utils::getsyserror()));
// skip header = blank and comment lines
@ -117,7 +122,8 @@ void Universe::reorder(char *style, char *arg)
rv = sscanf(line,"%d %d",&me_orig,&me_new);
if (me_orig < 0 || me_orig >= nprocs ||
me_new < 0 || me_new >= nprocs || rv != 2)
error->one(FLERR,"Invalid entry in -reorder file");
error->one(FLERR,fmt::format("Invalid entry '{} {}' in -reorder "
"file", me_orig, me_new));
uni2orig[me_new] = me_orig;
for (int i = 1; i < nprocs; i++) {
@ -126,7 +132,8 @@ void Universe::reorder(char *style, char *arg)
rv = sscanf(line,"%d %d",&me_orig,&me_new);
if (me_orig < 0 || me_orig >= nprocs ||
me_new < 0 || me_new >= nprocs || rv != 2)
error->one(FLERR,"Invalid entry in -reorder file");
error->one(FLERR,fmt::format("Invalid entry '{} {}' in -reorder "
"file", me_orig, me_new));
uni2orig[me_new] = me_orig;
}
fclose(fp);
@ -201,11 +208,9 @@ void Universe::add_world(char *str)
if (n < 1 || nper < 1) valid = false;
if (!valid) {
char msg[128];
snprintf(msg,128,"Invalid partition string '%s'",str);
error->universe_all(FLERR,msg);
}
if (!valid)
error->universe_all(FLERR,fmt::format("Invalid partition string '{}'",
str));
} else nper = nprocs;
memory->grow(procs_per_world,nworlds+n,"universe:procs_per_world");
@ -268,8 +273,7 @@ char *date2num(const char *version)
year = atoi(version);
}
char *ver = new char[64];
sprintf(ver,"%04d%02d%02d", year % 10000, month, day % 100);
char *ver = new char[12];
snprintf(ver,12,"%04d%02d%02d", year % 10000, month, day % 100);
return ver;
}