must set define to "see" the lammps_open() library function

This commit is contained in:
Axel Kohlmeyer
2021-10-09 10:20:47 -04:00
parent b5061b69be
commit ba44d6aba2

View File

@ -26,6 +26,8 @@
#error "Unsupported QE coupling API. Want API version 1."
#endif
// we need to pass an MPI communicator to the LAMMPS library interface
#define LAMMPS_LIB_MPI
#include "library.h"
static const char delim[] = " \t\n\r";
@ -67,8 +69,8 @@ int main(int argc, char **argv)
#if 1 // AK: temporary hack
if ( qmmmcfg.nmm != 2 ) {
if (me == 0) {
fprintf( stderr, "\n Error in the number of processors for MM code"
"\n for the time being only two processor are allowed\n");
fprintf( stderr, "\n Error in the number of processors for the MM code.\n"
" Currently only requesting 2 MM processors is allowed.\n");
}
MPI_Finalize();
return -1;