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lammps
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come code cleanup and refactoring

This commit is contained in:
Axel Kohlmeyer 2018-08-19 21:18:03 -04:00
parent 02b800a3bb
commit 7a8bb5baaf
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GPG Key ID: D9B44E93BF0C375A
1 changed files with 16 additions and 9 deletions
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25
src/KIM/kim_query.cpp
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@ -81,8 +81,13 @@ void KimQuery::command(int narg, char **arg)
value = do_query(model, property, comm->me, world);
if (comm->me == 0)
printf("property %s for model %s is %s\n",property,model,value);
// check for valid result
int len = strlen(value) + 1;
if (len == 1) {
// TODO: store more detailed error message after \0 byte.
error->all(FLERR,"Query of OpenKIM database failed");
}
char **varcmd = new char*[3];
varcmd[0] = varname;
@ -98,19 +103,21 @@ void KimQuery::command(int narg, char **arg)
char *do_query(char *model, char *property, int rank, MPI_Comm comm)
{
char val[512], *retval;
int len;
char value[512], *retval;
// only run query from rank 0
if (rank == 0) {
// fake query
strcpy(val,(const char*)"4.25");
strcpy(value,(const char*)"4.25");
}
MPI_Bcast(val, 512, MPI_CHAR, 0, comm);
len = strlen(val) + 1;
MPI_Bcast(value, 512, MPI_CHAR, 0, comm);
// must make a proper copy of the query, as the stack allocation
// will go out of scope
int len = strlen(value) + 1;
retval = new char[len];
strcpy(retval,val);
strcpy(retval,value);
return retval;
}