get rid of local buffers and snprinf()

src/input.cpp

@@ -251,11 +251,9 @@ void Input::file(const char *filename)
       error->one(FLERR,"Too many nested levels of input scripts");
 
     infile = fopen(filename,"r");
-    if (infile == NULL) {
+    if (infile == NULL)
-      char str[128];
+      error->one(FLERR,fmt::format("Cannot open input script {}",filename));
-      snprintf(str,128,"Cannot open input script %s",filename);
+
-      error->one(FLERR,str);
-    }
     infiles[nfile++] = infile;
   }
 
@@ -545,11 +543,10 @@ void Input::substitute(char *&str, char *&str2, int &max, int &max2, int flag)
         value = variable->retrieve(var);
       }
 
-      if (value == NULL) {
+      if (value == NULL)
-        char str[128];
+        error->one(FLERR,fmt::format("Substitution for illegal "
-        snprintf(str,128,"Substitution for illegal variable %s",var);
+                                     "variable {}",var));
-        error->one(FLERR,str);
+
-      }
       // check if storage in str2 needs to be expanded
       // re-initialize ptr and ptr2 to the point beyond the variable.
 
@@ -1038,11 +1035,9 @@ void Input::include()
       error->one(FLERR,"Too many nested levels of input scripts");
 
     infile = fopen(arg[0],"r");
-    if (infile == NULL) {
+    if (infile == NULL)
-      char str[128];
+      error->one(FLERR,fmt::format("Cannot open input script {}",arg[0]));
-      snprintf(str,128,"Cannot open input script %s",arg[0]);
+
-      error->one(FLERR,str);
-    }
     infiles[nfile++] = infile;
   }
 
@@ -1073,11 +1068,9 @@ void Input::jump()
     else {
       if (infile && infile != stdin) fclose(infile);
       infile = fopen(arg[0],"r");
-      if (infile == NULL) {
+      if (infile == NULL)
-        char str[128];
+        error->one(FLERR,fmt::format("Cannot open input script {}",arg[0]));
-        snprintf(str,128,"Cannot open input script %s",arg[0]);
+
-        error->one(FLERR,str);
-      }
       infiles[nfile-1] = infile;
     }
   }
@@ -1118,11 +1111,9 @@ void Input::log()
       if (appendflag) logfile = fopen(arg[0],"a");
       else logfile = fopen(arg[0],"w");
 
-      if (logfile == NULL) {
+      if (logfile == NULL)
-        char str[128];
+        error->one(FLERR,fmt::format("Cannot open logfile {}",arg[0]));
-        snprintf(str,128,"Cannot open logfile %s",arg[0]);
+
-        error->one(FLERR,str);
-      }
     }
     if (universe->nworlds == 1) universe->ulogfile = logfile;
   }
@@ -1197,11 +1188,9 @@ void Input::print()
         if (fp != NULL) fclose(fp);
         if (strcmp(arg[iarg],"file") == 0) fp = fopen(arg[iarg+1],"w");
         else fp = fopen(arg[iarg+1],"a");
-        if (fp == NULL) {
+        if (fp == NULL)
-          char str[128];
+          error->one(FLERR,fmt::format("Cannot open print file {}",
-          snprintf(str,128,"Cannot open print file %s",arg[iarg+1]);
+                                       arg[iarg+1]));
-          error->one(FLERR,str);
-        }
       }
       iarg += 2;
     } else if (strcmp(arg[iarg],"screen") == 0) {
@@ -1810,18 +1799,15 @@ void Input::pair_style()
 {
   if (narg < 1) error->all(FLERR,"Illegal pair_style command");
   if (force->pair) {
+    std::string style = arg[0];
     int match = 0;
-    if (strcmp(arg[0],force->pair_style) == 0) match = 1;
+    if (style == force->pair_style) match = 1;
     if (!match && lmp->suffix_enable) {
-      char estyle[256];
+      if (lmp->suffix)
-      if (lmp->suffix) {
+        if (style + "/" + lmp->suffix == force->pair_style) match = 1;
-        snprintf(estyle,256,"%s/%s",arg[0],lmp->suffix);
+
-        if (strcmp(estyle,force->pair_style) == 0) match = 1;
+      if (lmp->suffix2)
-      }
+        if (style + "/" + lmp->suffix2 == force->pair_style) match = 1;
-      if (lmp->suffix2) {
-        snprintf(estyle,256,"%s/%s",arg[0],lmp->suffix2);
-        if (strcmp(estyle,force->pair_style) == 0) match = 1;
-      }
     }
     if (match) {
       force->pair->settings(narg-1,&arg[1]);

src/lammps.cpp

@@ -436,11 +436,9 @@ LAMMPS::LAMMPS(int narg, char **arg, MPI_Comm communicator) :
     if (universe->me == 0) {
       if (inflag == 0) infile = stdin;
       else infile = fopen(arg[inflag],"r");
-      if (infile == NULL) {
+      if (infile == NULL)
-        char str[128];
+        error->one(FLERR,fmt::format("Cannot open input script {}",
-        snprintf(str,128,"Cannot open input script %s",arg[inflag]);
+                                     arg[inflag]));
-        error->one(FLERR,str);
-      }
     }
 
     if ((universe->me == 0) && !helpflag)

src/library.cpp

@@ -41,6 +41,7 @@
 #include "neighbor.h"
 #include "neigh_list.h"
 #include "neigh_request.h"
+#include "fmt/format.h"
 
 #if defined(LAMMPS_EXCEPTIONS)
 #include "exceptions.h"
@@ -1582,14 +1583,11 @@ void lammps_create_atoms(void *ptr, int n, tagint *id, int *type,
 
     // warn if new natoms is not correct
 
-    if (lmp->atom->natoms != natoms_prev + n) {
+    if ((lmp->atom->natoms != natoms_prev + n) && (lmp->comm->me == 0))
-      char str[128];
+      lmp->error->warning(FLERR,fmt::format("Library warning in "
-      snprintf(str, 128, "Library warning in lammps_create_atoms, "
+                                            "lammps_create_atoms: "
-              "invalid total atoms " BIGINT_FORMAT " " BIGINT_FORMAT,
+                                            "invalid total atoms {} vs. {}",
-              lmp->atom->natoms,natoms_prev+n);
+                                            lmp->atom->natoms,natoms_prev+n));
-      if (lmp->comm->me == 0)
-        lmp->error->warning(FLERR,str);
-    }
   }
   END_CAPTURE
 }
@@ -1607,19 +1605,13 @@ void lammps_set_fix_external_callback(void *ptr, char *id, FixExternalFnPtr call
   BEGIN_CAPTURE
   {
     int ifix = lmp->modify->find_fix(id);
-    if (ifix < 0) {
+    if (ifix < 0)
-      char str[128];
+      lmp->error->all(FLERR,fmt::format("Can not find fix with ID '{}'!", id));
-      snprintf(str, 128, "Can not find fix with ID '%s'!", id);
-      lmp->error->all(FLERR,str);
-    }
 
     Fix *fix = lmp->modify->fix[ifix];
 
-    if (strcmp("external",fix->style) != 0){
+    if (strcmp("external",fix->style) != 0)
-      char str[128];
+      lmp->error->all(FLERR,fmt::format("Fix '{}' is not of style external!", id));
-      snprintf(str, 128, "Fix '%s' is not of style external!", id);
-      lmp->error->all(FLERR,str);
-    }
 
     FixExternal * fext = (FixExternal*) fix;
     fext->set_callback(callback, caller);

src/memory.cpp

@@ -14,6 +14,7 @@
 #include "memory.h"
 #include <cstdlib>
 #include "error.h"
+#include "fmt/format.h"
 
 #if defined(LMP_USER_INTEL) && defined(__INTEL_COMPILER)
 #ifndef LMP_INTEL_NO_TBB
@@ -56,12 +57,9 @@ void *Memory::smalloc(bigint nbytes, const char *name)
 #else
   void *ptr = malloc(nbytes);
 #endif
-  if (ptr == NULL) {
+  if (ptr == NULL)
-    char str[128];
+    error->one(FLERR,fmt::format("Failed to allocate {} bytes for array {}",
-    sprintf(str,"Failed to allocate " BIGINT_FORMAT " bytes for array %s",
+                                 nbytes,name));
-            nbytes,name);
-    error->one(FLERR,str);
-  }
   return ptr;
 }
 
@@ -92,12 +90,9 @@ void *Memory::srealloc(void *ptr, bigint nbytes, const char *name)
 #else
   ptr = realloc(ptr,nbytes);
 #endif
-  if (ptr == NULL) {
+  if (ptr == NULL)
-    char str[128];
+    error->one(FLERR,fmt::format("Failed to reallocate {} bytes for array {}",
-    sprintf(str,"Failed to reallocate " BIGINT_FORMAT " bytes for array %s",
+                                 nbytes,name));
-            nbytes,name);
-    error->one(FLERR,str);
-  }
   return ptr;
 }
 
@@ -121,8 +116,6 @@ void Memory::sfree(void *ptr)
 
 void Memory::fail(const char *name)
 {
-  char str[128];
+  error->one(FLERR,fmt::format("Cannot create/grow a vector/array of "
-  snprintf(str,128,
+                               "pointers for {}",name));
-           "Cannot create/grow a vector/array of pointers for %s",name);
-  error->one(FLERR,str);
 }

src/modify.cpp

@@ -28,6 +28,7 @@
 #include "memory.h"
 #include "error.h"
 #include "utils.h"
+#include "fmt/format.h"
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
@@ -245,21 +246,15 @@ void Modify::init()
   // error if any fix or compute is using a dynamic group when not allowed
 
   for (i = 0; i < nfix; i++)
-    if (!fix[i]->dynamic_group_allow && group->dynamic[fix[i]->igroup]) {
+    if (!fix[i]->dynamic_group_allow && group->dynamic[fix[i]->igroup])
-      char str[128];
+      error->all(FLERR,fmt::format("Fix {} does not allow use with a "
-      snprintf(str,128,
+                                   "dynamic group",fix[i]->id));
-               "Fix %s does not allow use of dynamic group",fix[i]->id);
-      error->all(FLERR,str);
-    }
 
   for (i = 0; i < ncompute; i++)
     if (!compute[i]->dynamic_group_allow &&
-        group->dynamic[compute[i]->igroup]) {
+        group->dynamic[compute[i]->igroup])
-      char str[128];
+      error->all(FLERR,fmt::format("Compute {} does not allow use with a "
-      snprintf(str,128,"Compute %s does not allow use of dynamic group",
+                                   "dynamic group",compute[i]->id));
-               fix[i]->id);
-      error->all(FLERR,str);
-    }
 
   // warn if any particle is time integrated more than once
 

src/molecule.cpp

@@ -26,6 +26,7 @@
 #include "memory.h"
 #include "error.h"
 #include "utils.h"
+#include "fmt/format.h"
 
 using namespace LAMMPS_NS;
 
@@ -1721,11 +1722,8 @@ void Molecule::deallocate()
 void Molecule::open(char *file)
 {
   fp = fopen(file,"r");
-  if (fp == NULL) {
+  if (fp == NULL)
-    char str[128];
+    error->one(FLERR,fmt::format("Cannot open molecule file {}",file));
-    snprintf(str,128,"Cannot open molecule file %s",file);
-    error->one(FLERR,str);
-  }
 }
 
 /* ----------------------------------------------------------------------

src/pair_coul_streitz.cpp

@@ -31,6 +31,7 @@
 #include "memory.h"
 #include "error.h"
 #include "utils.h"
+#include "fmt/format.h"
 
 using namespace LAMMPS_NS;
 using namespace MathConst;
@@ -249,11 +250,9 @@ void PairCoulStreitz::read_file(char *file)
   FILE *fp;
   if (comm->me == 0) {
     fp = fopen(file,"r");
-    if (fp == NULL) {
+    if (fp == NULL)
-      char str[128];
+      error->one(FLERR,fmt::format("Cannot open coul/streitz potential "
-      snprintf(str,128,"Cannot open coul/streitz potential file %s",file);
+                                   "file {}",file));
-      error->one(FLERR,str);
-    }
   }
 
   // read each line out of file, skipping blank lines or leading '#'

src/potential_file_reader.cpp

@@ -22,6 +22,7 @@
 #include "potential_file_reader.h"
 #include "utils.h"
 #include "tokenizer.h"
+#include "fmt/format.h"
 
 #include <cstring>
 
@@ -36,11 +37,9 @@ PotentialFileReader::PotentialFileReader(LAMMPS *lmp,
 
   fp = force->open_potential(filename.c_str());
 
-  if (fp == NULL) {
+  if (fp == NULL)
-    char str[128];
+    error->one(FLERR,fmt::format("Cannot open {} potential file {}",
-    snprintf(str, 128, "cannot open %s potential file %s", potential_name.c_str(), filename.c_str());
+                                 potential_name, filename));
-    error->one(FLERR, str);
-  }
 }
 
 PotentialFileReader::~PotentialFileReader() {
@@ -49,12 +48,9 @@ PotentialFileReader::~PotentialFileReader() {
 
 void PotentialFileReader::skip_line() {
   char *ptr = fgets(line, MAXLINE, fp);
-  if (ptr == nullptr) {
+  if (ptr == nullptr)
-    // EOF
+    error->one(FLERR,fmt::format("Missing line in {} potential file!",
-    char str[128];
+                                 potential_name));
-    snprintf(str, 128, "Missing line in %s potential file!", potential_name.c_str());
-    error->one(FLERR, str);
-  }
 }
 
 char *PotentialFileReader::next_line(int nparams) {
@@ -83,16 +79,13 @@ char *PotentialFileReader::next_line(int nparams) {
 
     if (ptr == nullptr) {
       // EOF
-      if (nwords > 0 && nwords < nparams) {
+      if (nwords > 0 && nwords < nparams)
-        char str[128];
+        error->one(FLERR,fmt::format("Incorrect format in {} potential "
-        snprintf(str, 128, "Incorrect format in %s potential file! %d/%d parameters", potential_name.c_str(), nwords, nparams);
+                                     "file! {}/{} parameters",
-        error->one(FLERR, str);
+                                     potential_name, nwords, nparams));
-      }
-
       return nullptr;
     }
 
-
     // strip comment
     if ((ptr = strchr(line, '#'))) *ptr = '\0';
 
@@ -114,11 +107,9 @@ void PotentialFileReader::next_dvector(int n, double * list) {
 
     if (ptr == nullptr) {
       // EOF
-      if (i < n) {
+      if (i < n)
-        char str[128];
+        error->one(FLERR,fmt::format("Incorrect format in {} potential file! "
-        snprintf(str, 128, "Incorrect format in %s potential file! %d/%d values", potential_name.c_str(), i, n);
+                                     "{}/{} values", potential_name, i, n));
-        error->one(FLERR, str);
-      }
     }
 
     ValueTokenizer values(line);