Commit 6f8c544a authored by Axel Kohlmeyer's avatar Axel Kohlmeyer
Browse files

add option to `print_var_error()` function to delegate errors to error->one()... 

add option to `print_var_error()` function to delegate errors to error->one() instead of error->all()

this change is applied to cases that may happen on individual ranks only, e.g. out-of-range access, division by zero, invalid argument.
parent 6fbd0c08

src/variable.cpp

+30 −22
Original line number Diff line number Diff line
@@ -1352,7 +1352,7 @@ double Variable::evaluate(char *str, Tree **tree, int ivar) 
          if (index1 > compute->size_vector &&

              compute->size_vector_variable == 0)

            print_var_error(FLERR,"Variable formula compute vector "

                            "is accessed out-of-range",ivar);

                            "is accessed out-of-range",ivar,0);

          if (update->whichflag == 0) {

            if (compute->invoked_vector != update->ntimestep)

              print_var_error(FLERR,"Compute used in variable between runs "
@@ -1381,10 +1381,10 @@ double Variable::evaluate(char *str, Tree **tree, int ivar) 
          if (index1 > compute->size_array_rows &&

              compute->size_array_rows_variable == 0)

            print_var_error(FLERR,"Variable formula compute array "

                            "is accessed out-of-range",ivar);

                            "is accessed out-of-range",ivar,0);

          if (index2 > compute->size_array_cols)

            print_var_error(FLERR,"Variable formula compute array "

                            "is accessed out-of-range",ivar);

                            "is accessed out-of-range",ivar,0);

          if (update->whichflag == 0) {

            if (compute->invoked_array != update->ntimestep)

              print_var_error(FLERR,"Compute used in variable between runs "
@@ -1494,7 +1494,7 @@ double Variable::evaluate(char *str, Tree **tree, int ivar) 


          if (index2 > compute->size_peratom_cols)

            print_var_error(FLERR,"Variable formula compute "

                            "array is accessed out-of-range",ivar);

                            "array is accessed out-of-range",ivar,0);

          if (update->whichflag == 0) {

            if (compute->invoked_peratom != update->ntimestep)

              print_var_error(FLERR,"Compute used in variable "
@@ -1555,7 +1555,7 @@ double Variable::evaluate(char *str, Tree **tree, int ivar) 
                            "vector-style variable formula",ivar);

          if (index1 > compute->size_peratom_cols)

            print_var_error(FLERR,"Variable formula compute array "

                            "is accessed out-of-range",ivar);

                            "is accessed out-of-range",ivar,0);

          if (update->whichflag == 0) {

            if (compute->invoked_peratom != update->ntimestep)

              print_var_error(FLERR,"Compute used in variable "
@@ -1649,7 +1649,7 @@ double Variable::evaluate(char *str, Tree **tree, int ivar) 
          if (index1 > fix->size_vector &&

              fix->size_vector_variable == 0)

            print_var_error(FLERR,"Variable formula fix vector is "

                            "accessed out-of-range",ivar);

                            "accessed out-of-range",ivar,0);

          if (update->whichflag > 0 && update->ntimestep % fix->global_freq)

            print_var_error(FLERR,"Fix in variable not computed "

                            "at a compatible time",ivar);
@@ -1671,10 +1671,10 @@ double Variable::evaluate(char *str, Tree **tree, int ivar) 
          if (index1 > fix->size_array_rows &&

              fix->size_array_rows_variable == 0)

            print_var_error(FLERR,"Variable formula fix array is "

                            "accessed out-of-range",ivar);

                            "accessed out-of-range",ivar,0);

          if (index2 > fix->size_array_cols)

            print_var_error(FLERR,"Variable formula fix array is "

                            "accessed out-of-range",ivar);

                            "accessed out-of-range",ivar,0);

          if (update->whichflag > 0 && update->ntimestep % fix->global_freq)

            print_var_error(FLERR,"Fix in variable not computed at a "

                            "compatible time",ivar);
@@ -1775,7 +1775,7 @@ double Variable::evaluate(char *str, Tree **tree, int ivar) 


          if (index2 > fix->size_peratom_cols)

            print_var_error(FLERR,"Variable formula fix array is "

                            "accessed out-of-range",ivar);

                            "accessed out-of-range",ivar,0);

          if (update->whichflag > 0 &&

              update->ntimestep % fix->peratom_freq)

            print_var_error(FLERR,"Fix in variable not computed "
@@ -1822,7 +1822,7 @@ double Variable::evaluate(char *str, Tree **tree, int ivar) 
                            "equal-style variable formula",ivar);

          if (index1 > fix->size_peratom_cols)

            print_var_error(FLERR,"Variable formula fix array "

                            "is accessed out-of-range",ivar);

                            "is accessed out-of-range",ivar,0);

          if (update->whichflag > 0 &&

              update->ntimestep % fix->peratom_freq)

            print_var_error(FLERR,"Fix in variable not computed at "
@@ -2202,18 +2202,18 @@ double Variable::evaluate(char *str, Tree **tree, int ivar) 
            argstack[nargstack++] = value1 * value2;

          else if (opprevious == DIVIDE) {

            if (value2 == 0.0)

              print_var_error(FLERR,"Divide by 0 in variable formula",ivar);

              print_var_error(FLERR,"Divide by 0 in variable formula",ivar,0);

            argstack[nargstack++] = value1 / value2;

          } else if (opprevious == MODULO) {

            if (value2 == 0.0)

              print_var_error(FLERR,"Modulo 0 in variable formula",ivar);

              print_var_error(FLERR,"Modulo 0 in variable formula",ivar,0);

            argstack[nargstack++] = fmod(value1,value2);

          } else if (opprevious == CARAT) {

            if (value2 == 0.0)

              argstack[nargstack++] = 1.0;

            else if ((value1 == 0.0) && (value2 < 0.0))

              print_var_error(FLERR,"Invalid power expression in "

                              "variable formula",ivar);

                              "variable formula",ivar,0);

            else argstack[nargstack++] = pow(value1,value2);

          } else if (opprevious == UNARY) {

            argstack[nargstack++] = -value2;
@@ -3372,7 +3372,7 @@ int Variable::math_function(char *word, char *contents, Tree **tree, 
    else {

      if (value1 < 0.0)

        print_var_error(FLERR,"Sqrt of negative value in "

                        "variable formula",ivar);

                        "variable formula",ivar,0);

      argstack[nargstack++] = sqrt(value1);

    }
@@ -3388,7 +3388,7 @@ int Variable::math_function(char *word, char *contents, Tree **tree, 
    else {

      if (value1 <= 0.0)

        print_var_error(FLERR,"Log of zero/negative value in "

                        "variable formula",ivar);

                        "variable formula",ivar,0);

      argstack[nargstack++] = log(value1);

    }

  } else if (strcmp(word,"log") == 0) {
@@ -3398,7 +3398,7 @@ int Variable::math_function(char *word, char *contents, Tree **tree, 
    else {

      if (value1 <= 0.0)

        print_var_error(FLERR,"Log of zero/negative value in "

                        "variable formula",ivar);

                        "variable formula",ivar,0);

      argstack[nargstack++] = log10(value1);

    }

  } else if (strcmp(word,"abs") == 0) {
@@ -3429,7 +3429,7 @@ int Variable::math_function(char *word, char *contents, Tree **tree, 
    if (tree) newtree->type = ASIN;

    else {

      if (value1 < -1.0 || value1 > 1.0)

        print_var_error(FLERR,"Arcsin of invalid value in variable formula",ivar);

        print_var_error(FLERR,"Arcsin of invalid value in variable formula",ivar,0);

      argstack[nargstack++] = asin(value1);

    }

  } else if (strcmp(word,"acos") == 0) {
@@ -3438,7 +3438,7 @@ int Variable::math_function(char *word, char *contents, Tree **tree, 
    if (tree) newtree->type = ACOS;

    else {

      if (value1 < -1.0 || value1 > 1.0)

        print_var_error(FLERR,"Arccos of invalid value in variable formula",ivar);

        print_var_error(FLERR,"Arccos of invalid value in variable formula",ivar,0);

      argstack[nargstack++] = acos(value1);

    }

  } else if (strcmp(word,"atan") == 0) {
@@ -4032,7 +4032,7 @@ int Variable::special_function(char *word, char *contents, Tree **tree, 
      } else if (index && compute->array_flag) {

        if (index > compute->size_array_cols)

          print_var_error(FLERR,"Variable formula compute array "

                          "is accessed out-of-range",ivar);

                          "is accessed out-of-range",ivar,0);

        if (update->whichflag == 0) {

          if (compute->invoked_array != update->ntimestep)

            print_var_error(FLERR,"Compute used in variable between runs "
@@ -4652,14 +4652,22 @@ char *Variable::find_next_comma(char *str) 
------------------------------------------------------------------------- */



void Variable::print_var_error(const char *srcfile, int lineno,

                               const char *errmsg, int ivar)

                               const char *errmsg, int ivar, int global)

{

  if ((ivar >= 0) && (ivar < nvar)) {

    char msg[128];



    snprintf(msg,128,"Variable %s: %s",names[ivar],errmsg);

    if (global)

      error->all(srcfile,lineno,msg);

  } else error->all(srcfile,lineno,errmsg);

    else

      error->one(srcfile,lineno,msg);

  } else {

    if (global)

      error->all(srcfile,lineno,errmsg);

    else

      error->one(srcfile,lineno,errmsg);

  }

}



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

src/variable.h

+1 −1
Original line number Diff line number Diff line
@@ -125,7 +125,7 @@ class Variable : protected Pointers { 
  double constant(char *);

  int parse_args(char *, char **);

  char *find_next_comma(char *);

  void print_var_error(const char *, int, const char *, int);

  void print_var_error(const char *, int, const char *, int, int global=1);

  void print_tree(Tree *, int);

};

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