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Added plog and pscreen options

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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6420 f3b2605a-c512-4ea7-a41b-209d697bcdaa
This commit is contained in:
athomps
2011-06-15 17:51:07 +00:00
parent aa0ecd0ab4
commit 7d1fc815c1
3 changed files with 97 additions and 24 deletions
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80
src/lammps.cpp
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@ -55,6 +55,8 @@ LAMMPS::LAMMPS(int narg, char **arg, MPI_Comm communicator)
int inflag = 0;
int screenflag = 0;
int logflag = 0;
int partscreenflag = 0;
int partlogflag = 0;
int cudaflag = -1;
suffix = NULL;
suffix_enable = 0;
@ -94,6 +96,18 @@ LAMMPS::LAMMPS(int narg, char **arg, MPI_Comm communicator)
strcmp(arg[iarg],"-e") == 0) {
if (iarg+2 > narg) error->universe_all("Invalid command-line argument");
iarg += 2;
} else if (strcmp(arg[iarg],"-pscreen") == 0 ||
strcmp(arg[iarg],"-ps") == 0) {
if (iarg+2 > narg)
error->universe_all("Invalid command-line argument");
partscreenflag = iarg + 1;
iarg += 2;
} else if (strcmp(arg[iarg],"-plog") == 0 ||
strcmp(arg[iarg],"-pl") == 0) {
if (iarg+2 > narg)
error->universe_all("Invalid command-line argument");
partlogflag = iarg + 1;
iarg += 2;
} else if (strcmp(arg[iarg],"-cuda") == 0 ||
strcmp(arg[iarg],"-c") == 0) {
if (iarg+2 > narg) error->universe_all("Invalid command-line argument");
@ -127,6 +141,16 @@ LAMMPS::LAMMPS(int narg, char **arg, MPI_Comm communicator)
if (universe->existflag && inflag == 0)
error->universe_all("Must use -in switch with multiple partitions");
// if no partition command-line switch, cannot use -pscreen option
if (universe->existflag == 0 && partscreenflag)
error->universe_all("Can only use -pscreen with multiple partitions");
// if no partition command-line switch, cannot use -plog option
if (universe->existflag == 0 && partlogflag)
error->universe_all("Can only use -plog with multiple partitions");
// set universe screen and logfile
if (universe->me == 0) {
@ -194,37 +218,53 @@ LAMMPS::LAMMPS(int narg, char **arg, MPI_Comm communicator)
MPI_Comm_split(universe->uworld,universe->iworld,0,&world);
MPI_Comm_rank(world,&me);
if (me == 0) {
if (screenflag == 0) {
char str[32];
sprintf(str,"screen.%d",universe->iworld);
screen = fopen(str,"w");
if (screen == NULL) error->one("Cannot open screen file");
} else if (strcmp(arg[screenflag],"none") == 0)
if (me == 0)
if (partscreenflag == 0)
if (screenflag == 0) {
char str[32];
sprintf(str,"screen.%d",universe->iworld);
screen = fopen(str,"w");
if (screen == NULL) error->one("Cannot open screen file");
} else if (strcmp(arg[screenflag],"none") == 0)
screen = NULL;
else {
char str[128];
sprintf(str,"%s.%d",arg[screenflag],universe->iworld);
screen = fopen(str,"w");
if (screen == NULL) error->one("Cannot open screen file");
}
else if (strcmp(arg[partscreenflag],"none") == 0)
screen = NULL;
else {
char str[128];
sprintf(str,"%s.%d",arg[screenflag],universe->iworld);
sprintf(str,"%s.%d",arg[partscreenflag],universe->iworld);
screen = fopen(str,"w");
if (screen == NULL) error->one("Cannot open screen file");
}
} else screen = NULL;
} else screen = NULL;
if (me == 0) {
if (logflag == 0) {
char str[32];
sprintf(str,"log.lammps.%d",universe->iworld);
logfile = fopen(str,"w");
if (logfile == NULL) error->one("Cannot open logfile");
} else if (strcmp(arg[logflag],"none") == 0)
if (me == 0)
if (partlogflag == 0)
if (logflag == 0) {
char str[32];
sprintf(str,"log.lammps.%d",universe->iworld);
logfile = fopen(str,"w");
if (logfile == NULL) error->one("Cannot open logfile");
} else if (strcmp(arg[logflag],"none") == 0)
logfile = NULL;
else {
char str[128];
sprintf(str,"%s.%d",arg[logflag],universe->iworld);
logfile = fopen(str,"w");
if (logfile == NULL) error->one("Cannot open logfile");
}
else if (strcmp(arg[partlogflag],"none") == 0)
logfile = NULL;
else {
char str[128];
sprintf(str,"%s.%d",arg[logflag],universe->iworld);
sprintf(str,"%s.%d",arg[partlogflag],universe->iworld);
logfile = fopen(str,"w");
if (logfile == NULL) error->one("Cannot open logfile");
}
} else logfile = NULL;
} else logfile = NULL;
if (me == 0) {
infile = fopen(arg[inflag],"r");