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