make some more use of {fmt} in lammps.cpp

src/input.cpp

@@ -50,6 +50,7 @@
 #include "error.h"
 #include "memory.h"
 #include "utils.h"
+#include "fmt/format.h"
 
 #ifdef _WIN32
 #include <direct.h>
@@ -275,11 +276,11 @@ void Input::file(const char *filename)
    return command name to caller
 ------------------------------------------------------------------------- */
 
-char *Input::one(const char *single)
+char *Input::one(const std::string &single)
 {
-  int n = strlen(single) + 1;
+  int n = single.size() + 1;
   if (n > maxline) reallocate(line,maxline,n);
-  strcpy(line,single);
+  strcpy(line,single.c_str());
 
   // echo the command unless scanning for label
 
@@ -300,11 +301,8 @@ char *Input::one(const char *single)
 
   // execute the command and return its name
 
-  if (execute_command()) {
+  if (execute_command())
-    char *str = new char[maxline+32];
+    error->all(FLERR,fmt::format("Unknown command: {}",line).c_str());
-    sprintf(str,"Unknown command: %s",line);
-    error->all(FLERR,str);
-  }
 
   return command;
 }

src/input.h

@@ -34,7 +34,7 @@ class Input : protected Pointers {
   ~Input();
   void file();                   // process all input
   void file(const char *);       // process an input script
-  char *one(const char *);       // process a single command
+  char *one(const std::string&); // process a single command
   void substitute(char *&, char *&, int &, int &, int);
                                  // substitute for variables in a string
   int expand_args(int, char **, int, char **&);  // expand args due to wildcard

src/lammps.cpp

@@ -456,62 +456,55 @@ 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)
+    screen = logfile = infile = NULL;
-      if (partscreenflag == 0)
-       if (screenflag == 0) {
-         char str[32];
-         sprintf(str,"screen.%d",universe->iworld);
-         screen = fopen(str,"w");
-         if (screen == NULL) error->one(FLERR,"Cannot open screen file");
-       } else if (strcmp(arg[screenflag],"none") == 0)
-         screen = NULL;
-       else {
-         char str[128];
-         snprintf(str,128,"%s.%d",arg[screenflag],universe->iworld);
-         screen = fopen(str,"w");
-         if (screen == NULL) error->one(FLERR,"Cannot open screen file");
-       }
-      else if (strcmp(arg[partscreenflag],"none") == 0)
-        screen = NULL;
-      else {
-        char str[128];
-        snprintf(str,128,"%s.%d",arg[partscreenflag],universe->iworld);
-        screen = fopen(str,"w");
-        if (screen == NULL) error->one(FLERR,"Cannot open screen file");
-      } else screen = NULL;
-
-    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(FLERR,"Cannot open logfile");
-       } else if (strcmp(arg[logflag],"none") == 0)
-         logfile = NULL;
-       else {
-         char str[128];
-         snprintf(str,128,"%s.%d",arg[logflag],universe->iworld);
-         logfile = fopen(str,"w");
-         if (logfile == NULL) error->one(FLERR,"Cannot open logfile");
-       }
-      else if (strcmp(arg[partlogflag],"none") == 0)
-        logfile = NULL;
-      else {
-        char str[128];
-        snprintf(str,128,"%s.%d",arg[partlogflag],universe->iworld);
-        logfile = fopen(str,"w");
-        if (logfile == NULL) error->one(FLERR,"Cannot open logfile");
-      } else logfile = NULL;
-
     if (me == 0) {
+      std::string str;
+      if (partscreenflag == 0) {
+        if (screenflag == 0) {
+          str = fmt::format("screen.{}",universe->iworld);
+          screen = fopen(str.c_str(),"w");
+          if (screen == NULL) error->one(FLERR,"Cannot open screen file");
+        } else if (strcmp(arg[screenflag],"none") == 0) {
+          screen = NULL;
+        } else {
+          str = fmt::format("{}.{}",arg[screenflag],universe->iworld);
+          screen = fopen(str.c_str(),"w");
+          if (screen == NULL) error->one(FLERR,"Cannot open screen file");
+        }
+      } else if (strcmp(arg[partscreenflag],"none") == 0) {
+        screen = NULL;
+      } else {
+        str = fmt::format("{}.{}",arg[partscreenflag],universe->iworld);
+        screen = fopen(str.c_str(),"w");
+        if (screen == NULL) error->one(FLERR,"Cannot open screen file");
+      }
+
+      if (partlogflag == 0) {
+        if (logflag == 0) {
+          str = fmt::format("log.lammps.{}",universe->iworld);
+          logfile = fopen(str.c_str(),"w");
+          if (logfile == NULL) error->one(FLERR,"Cannot open logfile");
+        } else if (strcmp(arg[logflag],"none") == 0) {
+          logfile = NULL;
+        } else {
+          str = fmt::format("{}.{}",arg[logflag],universe->iworld);
+          logfile = fopen(str.c_str(),"w");
+          if (logfile == NULL) error->one(FLERR,"Cannot open logfile");
+        }
+      } else if (strcmp(arg[partlogflag],"none") == 0) {
+        logfile = NULL;
+      } else {
+        str = fmt::format("{}.{}",arg[partlogflag],universe->iworld);
+        logfile = fopen(str.c_str(),"w");
+        if (logfile == NULL) error->one(FLERR,"Cannot open logfile");
+      }
+
       infile = fopen(arg[inflag],"r");
       if (infile == NULL) {
-        char str[128];
+        str = fmt::format("Cannot open input script {}",arg[inflag]);
-        snprintf(str,128,"Cannot open input script %s",arg[inflag]);
+        error->one(FLERR,str.c_str());
-        error->one(FLERR,str);
       }
-    } else infile = NULL;
+    }
 
     // screen and logfile messages for universe and world