Unverified Commit 62ee8d41 authored by Axel Kohlmeyer's avatar Axel Kohlmeyer
Browse files

get rid of local buffers and snprinf()

parent 4b58e33b

src/input.cpp

+26 −40
Original line number Diff line number Diff line
@@ -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) {

      char str[128];

      snprintf(str,128,"Cannot open input script %s",filename);

      error->one(FLERR,str);

    }

    if (infile == NULL)

      error->one(FLERR,fmt::format("Cannot open input script {}",filename));



    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) {

        char str[128];

        snprintf(str,128,"Substitution for illegal variable %s",var);

        error->one(FLERR,str);

      }

      if (value == NULL)

        error->one(FLERR,fmt::format("Substitution for illegal "

                                     "variable {}",var));



      // 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) {

      char str[128];

      snprintf(str,128,"Cannot open input script %s",arg[0]);

      error->one(FLERR,str);

    }

    if (infile == NULL)

      error->one(FLERR,fmt::format("Cannot open input script {}",arg[0]));



    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) {

        char str[128];

        snprintf(str,128,"Cannot open input script %s",arg[0]);

        error->one(FLERR,str);

      }

      if (infile == NULL)

        error->one(FLERR,fmt::format("Cannot open input script {}",arg[0]));



      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) {

        char str[128];

        snprintf(str,128,"Cannot open logfile %s",arg[0]);

        error->one(FLERR,str);

      }

      if (logfile == NULL)

        error->one(FLERR,fmt::format("Cannot open logfile {}",arg[0]));



    }

    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) {

          char str[128];

          snprintf(str,128,"Cannot open print file %s",arg[iarg+1]);

          error->one(FLERR,str);

        }

        if (fp == NULL)

          error->one(FLERR,fmt::format("Cannot open print file {}",

                                       arg[iarg+1]));

      }

      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) {

        snprintf(estyle,256,"%s/%s",arg[0],lmp->suffix);

        if (strcmp(estyle,force->pair_style) == 0) match = 1;

      }

      if (lmp->suffix2) {

        snprintf(estyle,256,"%s/%s",arg[0],lmp->suffix2);

        if (strcmp(estyle,force->pair_style) == 0) match = 1;

      }

      if (lmp->suffix)

        if (style + "/" + lmp->suffix == force->pair_style) match = 1;



      if (lmp->suffix2)

        if (style + "/" + lmp->suffix2 == force->pair_style) match = 1;

    }

    if (match) {

      force->pair->settings(narg-1,&arg[1]);

src/lammps.cpp

+3 −5
Original line number Diff line number Diff line
@@ -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) {

        char str[128];

        snprintf(str,128,"Cannot open input script %s",arg[inflag]);

        error->one(FLERR,str);

      }

      if (infile == NULL)

        error->one(FLERR,fmt::format("Cannot open input script {}",

                                     arg[inflag]));

    }



    if ((universe->me == 0) && !helpflag)

src/library.cpp

+10 −18
Original line number Diff line number Diff line
@@ -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) {

      char str[128];

      snprintf(str, 128, "Library warning in lammps_create_atoms, "

              "invalid total atoms " BIGINT_FORMAT " " BIGINT_FORMAT,

              lmp->atom->natoms,natoms_prev+n);

      if (lmp->comm->me == 0)

        lmp->error->warning(FLERR,str);

    }

    if ((lmp->atom->natoms != natoms_prev + n) && (lmp->comm->me == 0))

      lmp->error->warning(FLERR,fmt::format("Library warning in "

                                            "lammps_create_atoms: "

                                            "invalid total atoms {} vs. {}",

                                            lmp->atom->natoms,natoms_prev+n));

  }

  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) {

      char str[128];

      snprintf(str, 128, "Can not find fix with ID '%s'!", id);

      lmp->error->all(FLERR,str);

    }

    if (ifix < 0)

      lmp->error->all(FLERR,fmt::format("Can not find fix with ID '{}'!", id));



    Fix *fix = lmp->modify->fix[ifix];



    if (strcmp("external",fix->style) != 0){

      char str[128];

      snprintf(str, 128, "Fix '%s' is not of style external!", id);

      lmp->error->all(FLERR,str);

    }

    if (strcmp("external",fix->style) != 0)

      lmp->error->all(FLERR,fmt::format("Fix '{}' is not of style external!", id));



    FixExternal * fext = (FixExternal*) fix;

    fext->set_callback(callback, caller);

src/memory.cpp

+9 −16
Original line number Diff line number Diff line
@@ -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) {

    char str[128];

    sprintf(str,"Failed to allocate " BIGINT_FORMAT " bytes for array %s",

            nbytes,name);

    error->one(FLERR,str);

  }

  if (ptr == NULL)

    error->one(FLERR,fmt::format("Failed to allocate {} bytes for array {}",

                                 nbytes,name));

  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) {

    char str[128];

    sprintf(str,"Failed to reallocate " BIGINT_FORMAT " bytes for array %s",

            nbytes,name);

    error->one(FLERR,str);

  }

  if (ptr == NULL)

    error->one(FLERR,fmt::format("Failed to reallocate {} bytes for array {}",

                                 nbytes,name));

  return ptr;

}
@@ -121,8 +116,6 @@ void Memory::sfree(void *ptr) 


void Memory::fail(const char *name)

{

  char str[128];

  snprintf(str,128,

           "Cannot create/grow a vector/array of pointers for %s",name);

  error->one(FLERR,str);

  error->one(FLERR,fmt::format("Cannot create/grow a vector/array of "

                               "pointers for {}",name));

}

src/modify.cpp

+7 −12
Original line number Diff line number Diff line
@@ -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]) {

      char str[128];

      snprintf(str,128,

               "Fix %s does not allow use of dynamic group",fix[i]->id);

      error->all(FLERR,str);

    }

    if (!fix[i]->dynamic_group_allow && group->dynamic[fix[i]->igroup])

      error->all(FLERR,fmt::format("Fix {} does not allow use with a "

                                   "dynamic group",fix[i]->id));



  for (i = 0; i < ncompute; i++)

    if (!compute[i]->dynamic_group_allow &&

        group->dynamic[compute[i]->igroup]) {

      char str[128];

      snprintf(str,128,"Compute %s does not allow use of dynamic group",

               fix[i]->id);

      error->all(FLERR,str);

    }

        group->dynamic[compute[i]->igroup])

      error->all(FLERR,fmt::format("Compute {} does not allow use with a "

                                   "dynamic group",compute[i]->id));



  // warn if any particle is time integrated more than once

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