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ValeevGroup / mpqc

The Massively Parallel Quantum Chemistry program, MPQC, computes properties of atoms and molecules from first principles using the time independent Schrödinger equation.
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2.3.1 build fails when HAVE_MPI is undefined, but HAVE_ARMCI is defined #55

Open yurivict opened 6 years ago

yurivict commented 6 years ago

It can't find ShmMessageGrp in the lines

#if defined(HAVE_ARMCI)
  else if (msg->class_desc() == ::class_desc<MPIMessageGrp>()) {
      default_memorygrp = new ARMCIMemoryGrp(msg);
      return default_memorygrp.pointer();
    }
#endif

because mpi is included only when HAVE_MPI is defined.

evaleev commented 6 years ago

@yurivict did you mean MPIMessageGrp, not ShmMessageGrp? could you please attach config.log? From what I recall (it's been awhile) ARMCI uses MPI for bootstrap so HAVE_MPI should have been defined.

yurivict commented 6 years ago

Yes, MPIMessageGrp, sorry.