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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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13
src/Makefile
View File

@ -18,7 +18,7 @@ PACKAGE = asphere class2 colloid dipole dsmc gpu granular \
shock srd xtc
PACKUSER = user-ackland user-atc user-awpmd user-cd-eam user-cg-cmm \
user-eff user-ewaldn user-imd user-reaxc user-smd
user-eff user-ewaldn user-imd user-reaxc user-smd
# user-cuda user-eff user-ewaldn user-imd user-reaxc user-smd
PACKALL = $(PACKAGE) $(PACKUSER)
@ -52,6 +52,7 @@ help:
@echo ''
@echo 'make package-update replace src files with package files'
@echo 'make package-overwrite replace package files with src files'
@echo 'make package-diff diff src files against package files'
@echo ''
@echo 'make machine build LAMMPS where machine is one of:'
@echo ''
@ -126,6 +127,7 @@ package:
@echo ''
@echo 'make package-update replace src files with package files'
@echo 'make package-overwrite replace package files with src files'
@echo 'make package-diff diff src files against package file'
yes-all:
@for p in $(PACKALL); do $(MAKE) yes-$$p; done
@ -161,10 +163,11 @@ no-%:
cd $(NODIR); $(SHELL) Install.sh 0; cd ..; $(SHELL) Depend.sh 0; \
fi;
# status = list differences between src and package files
# status = list src files that differ from package files
# update = replace src files with newer package files
# overwrite = overwrite package files with newer src files
# regenerate = regenerate Makefile.package from Makefile.package.empty
# diff = show differences between src and package files
package-status:
@for p in $(PACKAGEUC); do $(SHELL) Package.sh $$p status; done
@ -185,3 +188,9 @@ package-regenerate:
@cp Makefile.package.empty Makefile.package
@for p in $(PACKAGEUC); do $(SHELL) Package.sh $$p regenerate; done
@for p in $(PACKUSERUC); do $(SHELL) Package.sh $$p regenerate; done
package-diff:
@for p in $(PACKAGEUC); do $(SHELL) Package.sh $$p diff; done
@echo ''
@for p in $(PACKUSERUC); do $(SHELL) Package.sh $$p diff; done

28
src/Package.sh
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@ -1,5 +1,5 @@
# Package.sh = package management, called from Makefile
# Syntax: sh Package.sh DIR status/update/overwrite/regenerate
# Syntax: sh Package.sh DIR status/update/overwrite/regenerate/diff
# style used to translate dir name to package name
@ -79,7 +79,7 @@ elif (test $2 = "overwrite") then
echo " $1 package is not installed, no action"
fi
# regenernate Makefile.package from Makefile.package.empty
# regenenate Makefile.package from Makefile.package.empty
# if installed:
# re-install so Install.sh will edit Makefile.pacakge
@ -87,4 +87,28 @@ elif (test $2 = "regenerate") then
if (test $installed = 1) then
/bin/sh Install.sh 1
fi
# diff
# if installed:
# show any differences between src files and package files
elif (test $2 = "diff") then
if (test $installed = 1) then
echo "Installed YES: package $1"
for file in *.cpp *.h; do
if (test ! -e ../$file) then
echo "************************************************************************"
echo " src/$file does not exist"
echo "************************************************************************"
elif (test "`diff --brief $file ../$file`" != "") then
echo "************************************************************************"
echo "diff $1/$file src/$file "
echo "************************************************************************"
diff $file ../$file
fi
done
fi
fi

80
src/lammps.cpp
View File

@ -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");