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

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Axel Kohlmeyer
2021-10-09 10:20:47 -04:00
parent b5061b69be
commit ba44d6aba2
1 changed files with 4 additions and 2 deletions
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6
lib/qmmm/pwqmmm.c
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@ -26,6 +26,8 @@
#error "Unsupported QE coupling API. Want API version 1." #error "Unsupported QE coupling API. Want API version 1."
#endif #endif
// we need to pass an MPI communicator to the LAMMPS library interface
#define LAMMPS_LIB_MPI
#include "library.h" #include "library.h"
static const char delim[] = " \t\n\r"; static const char delim[] = " \t\n\r";
@ -67,8 +69,8 @@ int main(int argc, char **argv)
#if 1 // AK: temporary hack #if 1 // AK: temporary hack
if ( qmmmcfg.nmm != 2 ) { if ( qmmmcfg.nmm != 2 ) {
if (me == 0) { if (me == 0) {
fprintf( stderr, "\n Error in the number of processors for MM code" fprintf( stderr, "\n Error in the number of processors for the MM code.\n"
"\n for the time being only two processor are allowed\n"); " Currently only requesting 2 MM processors is allowed.\n");
} }
MPI_Finalize(); MPI_Finalize();
return -1; return -1;