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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7057 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2011-10-10 14:58:50 +00:00
parent 2182b0443b
commit c1bfbd8e61
2 changed files with 26 additions and 14 deletions
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2
src/input.cpp
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@ -89,7 +89,7 @@ Input::Input(LAMMPS *lmp, int argc, char **argv) : Pointers(lmp)
int iarg = 0;
while (iarg < argc) {
if (strcmp(argv[iarg],"-var") == 0 || strcmp(argv[iarg],"-v") == 0) {
int jarg = iarg+2;
int jarg = iarg+3;
while (jarg < argc && argv[jarg][0] != '-') jarg++;
variable->set(argv[iarg+1],jarg-iarg-2,&argv[iarg+2]);
iarg = jarg;

38
src/lammps.cpp
View File

@ -81,7 +81,8 @@ LAMMPS::LAMMPS(int narg, char **arg, MPI_Comm communicator)
if (strcmp(arg[iarg],"-partition") == 0 ||
strcmp(arg[iarg],"-p") == 0) {
universe->existflag = 1;
if (iarg+2 > narg) error->universe_all(FLERR,"Invalid command-line argument");
if (iarg+2 > narg)
error->universe_all(FLERR,"Invalid command-line argument");
iarg++;
while (iarg < narg && arg[iarg][0] != '-') {
universe->add_world(arg[iarg]);
@ -89,27 +90,32 @@ LAMMPS::LAMMPS(int narg, char **arg, MPI_Comm communicator)
}
} else if (strcmp(arg[iarg],"-in") == 0 ||
strcmp(arg[iarg],"-i") == 0) {
if (iarg+2 > narg) error->universe_all(FLERR,"Invalid command-line argument");
if (iarg+2 > narg)
error->universe_all(FLERR,"Invalid command-line argument");
inflag = iarg + 1;
iarg += 2;
} else if (strcmp(arg[iarg],"-screen") == 0 ||
strcmp(arg[iarg],"-sc") == 0) {
if (iarg+2 > narg) error->universe_all(FLERR,"Invalid command-line argument");
if (iarg+2 > narg)
error->universe_all(FLERR,"Invalid command-line argument");
screenflag = iarg + 1;
iarg += 2;
} else if (strcmp(arg[iarg],"-log") == 0 ||
strcmp(arg[iarg],"-l") == 0) {
if (iarg+2 > narg) error->universe_all(FLERR,"Invalid command-line argument");
if (iarg+2 > narg)
error->universe_all(FLERR,"Invalid command-line argument");
logflag = iarg + 1;
iarg += 2;
} else if (strcmp(arg[iarg],"-var") == 0 ||
strcmp(arg[iarg],"-v") == 0) {
if (iarg+3 > narg) error->universe_all(FLERR,"Invalid command-line argument");
iarg += 2;
if (iarg+3 > narg)
error->universe_all(FLERR,"Invalid command-line argument");
iarg += 3;
while (iarg < narg && arg[iarg][0] != '-') iarg++;
} else if (strcmp(arg[iarg],"-echo") == 0 ||
strcmp(arg[iarg],"-e") == 0) {
if (iarg+2 > narg) error->universe_all(FLERR,"Invalid command-line argument");
if (iarg+2 > narg)
error->universe_all(FLERR,"Invalid command-line argument");
iarg += 2;
} else if (strcmp(arg[iarg],"-pscreen") == 0 ||
strcmp(arg[iarg],"-ps") == 0) {
@ -125,14 +131,16 @@ LAMMPS::LAMMPS(int narg, char **arg, MPI_Comm communicator)
iarg += 2;
} else if (strcmp(arg[iarg],"-cuda") == 0 ||
strcmp(arg[iarg],"-c") == 0) {
if (iarg+2 > narg) error->universe_all(FLERR,"Invalid command-line argument");
if (iarg+2 > narg)
error->universe_all(FLERR,"Invalid command-line argument");
if (strcmp(arg[iarg+1],"on") == 0) cudaflag = 1;
else if (strcmp(arg[iarg+1],"off") == 0) cudaflag = 0;
else error->universe_all(FLERR,"Invalid command-line argument");
iarg += 2;
} else if (strcmp(arg[iarg],"-suffix") == 0 ||
strcmp(arg[iarg],"-sf") == 0) {
if (iarg+2 > narg) error->universe_all(FLERR,"Invalid command-line argument");
if (iarg+2 > narg)
error->universe_all(FLERR,"Invalid command-line argument");
delete [] suffix;
int n = strlen(arg[iarg+1]) + 1;
suffix = new char[n];
@ -141,7 +149,8 @@ LAMMPS::LAMMPS(int narg, char **arg, MPI_Comm communicator)
iarg += 2;
} else if (strcmp(arg[iarg],"-help") == 0 ||
strcmp(arg[iarg],"-h") == 0) {
if (iarg+1 > narg) error->universe_all(FLERR,"Invalid command-line argument");
if (iarg+1 > narg)
error->universe_all(FLERR,"Invalid command-line argument");
helpflag = 1;
iarg += 1;
} else error->universe_all(FLERR,"Invalid command-line argument");
@ -334,10 +343,12 @@ LAMMPS::LAMMPS(int narg, char **arg, MPI_Comm communicator)
int mpisize;
MPI_Type_size(MPI_LMP_TAGINT,&mpisize);
if (mpisize != sizeof(tagint))
error->all(FLERR,"MPI_LMP_TAGINT and tagint in lmptype.h are not compatible");
error->all(FLERR,
"MPI_LMP_TAGINT and tagint in lmptype.h are not compatible");
MPI_Type_size(MPI_LMP_BIGINT,&mpisize);
if (mpisize != sizeof(bigint))
error->all(FLERR,"MPI_LMP_BIGINT and bigint in lmptype.h are not compatible");
error->all(FLERR,
"MPI_LMP_BIGINT and bigint in lmptype.h are not compatible");
#ifdef LAMMPS_SMALLBIG
if (sizeof(smallint) != 4 || sizeof(tagint) != 4 || sizeof(bigint) != 8)
@ -352,7 +363,8 @@ LAMMPS::LAMMPS(int narg, char **arg, MPI_Comm communicator)
error->all(FLERR,"Small, tag, big integers are not sized correctly");
#endif
if (sizeof(tagint) == 8) error->all(FLERR,"64-bit atom IDs are not yet supported");
if (sizeof(tagint) == 8)
error->all(FLERR,"64-bit atom IDs are not yet supported");
// create CUDA class if USER-CUDA installed, unless explicitly switched off
// instantiation creates dummy CUDA class if USER-CUDA is not installed