(5c22269d) · Commits · 郑智淋 / lammps

src/input.cpp

+5 −5

Original line number	Diff line number	Diff line
		@@ -789,13 +789,13 @@ void Input::log()
		if (logfile) fclose(logfile);
		if (strcmp(arg[0],"none") == 0) logfile = NULL;
		else {
		char fname[128];
		if (universe->nworlds == 1) strcpy(fname,arg[0]);
		else sprintf(fname,"%s.%d",arg[0],universe->iworld);
		logfile = fopen(fname,"w");
		// char fname[128];
		// if (universe->nworlds == 1) strcpy(fname,arg[0]);
		// else sprintf(fname,"%s.%d",arg[0],universe->iworld);
		logfile = fopen(arg[0],"w");
		if (logfile == NULL) {
		char str[128];
		sprintf(str,"Cannot open logfile %s",fname);
		sprintf(str,"Cannot open logfile %s",arg[0]);
		error->one(str);
		}
		}

src/variable.cpp

+27 −19

Original line number	Diff line number	Diff line
		@@ -28,7 +28,7 @@

		#define VARDELTA 4

		enum{INDEX,LOOP,EQUAL,WORLD,UNIVERSE};
		enum{INDEX,LOOP,EQUAL,WORLD,UNIVERSE,ULOOP};

		/* ---------------------------------------------------------------------- */

		@@ -136,19 +136,29 @@ void Variable::set(int narg, char **arg)
		data[nvar] = new char*[num[nvar]];
		copy(num[nvar],&arg[2],data[nvar]);

		// UNIVERSE
		// num = listed args, index = partition this proc is in, data = copied args
		// UNIVERSE and ULOOP
		// for UNIVERSE: num = listed args, data = copied args
		// for ULOOP: num = N, data = list of NULLS since never used
		// index = partition this proc is in
		// universe proc 0 creates lock file
		// error check that all other universe variables are same length
		// error check that all other universe/uloop variables are same length

		} else if (strcmp(arg[1],"universe") == 0) {
		} else if (strcmp(arg[1],"universe") == 0 \|\| strcmp(arg[1],"uloop") == 0) {
		if (strcmp(arg[1],"universe") == 0) {
		style[nvar] = UNIVERSE;
		num[nvar] = narg - 2;
		if (num[nvar] < universe->nworlds)
		error->all("Universe variable count < # of partitions");
		index[nvar] = universe->iworld;
		data[nvar] = new char*[num[nvar]];
		copy(num[nvar],&arg[2],data[nvar]);
		} else {
		style[nvar] = ULOOP;
		num[nvar] = atoi(arg[2]);
		data[nvar] = new char*[num[nvar]];
		for (int i = 0; i < num[nvar]; i++) data[nvar][i] = NULL;
		}

		if (num[nvar] < universe->nworlds)
		error->all("Universe/uloop variable count < # of partitions");
		index[nvar] = universe->iworld;

		if (universe->me == 0) {
		FILE *fp = fopen("tmp.lammps.variable","w");
		@@ -157,8 +167,9 @@ void Variable::set(int narg, char **arg)
		}

		for (int jvar = 0; jvar < nvar; jvar++)
		if (num[jvar] && style[jvar] == UNIVERSE && num[nvar] != num[jvar])
		error->all("All universe variables must have same # of values");
		if (num[jvar] && (style[jvar] == UNIVERSE \|\| style[jvar] == ULOOP) &&
		num[nvar] != num[jvar])
		error->all("All universe/uloop variables must have same # of values");

		if (me == 0) {
		if (universe->uscreen)
		@@ -252,7 +263,7 @@ int Variable::next(int narg, char **arg)
		}
		}

		} else if (istyle == UNIVERSE) {
		} else if (istyle == UNIVERSE \|\| istyle == ULOOP) {

		// wait until lock file can be created and owned by proc 0 of this world
		// read next available index and Bcast it within my world
		@@ -307,9 +318,10 @@ char Variable::retrieve(char name)
		if (index[ivar] >= num[ivar]) return NULL;

		char *str;
		if (style[ivar] == INDEX) {
		if (style[ivar] == INDEX \|\| style[ivar] == WORLD \|\|
		style[ivar] == UNIVERSE) {
		str = data[ivar][index[ivar]];
		} else if (style[ivar] == LOOP) {
		} else if (style[ivar] == LOOP \|\| style[ivar] == ULOOP) {
		char *value = new char[16];
		sprintf(value,"%d",index[ivar]+1);
		int n = strlen(value) + 1;
		@@ -326,10 +338,6 @@ char Variable::retrieve(char name)
		strcpy(data[ivar][1],value);
		delete [] value;
		str = data[ivar][1];
		} else if (style[ivar] == WORLD) {
		str = data[ivar][index[ivar]];
		} else if (style[ivar] == UNIVERSE) {
		str = data[ivar][index[ivar]];
		}
		return str;
		}

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