Package: nwchem Followup-For: Bug #1005951 Running more tests for upstream, I find armci-mpi fails its own tests when configured to run over two nodes with openmpi, though they don't report the same gmr_create error directly.
Running armci-mpi tests manually, $ mpirun.openmpi -H host-1:1,host-2:1 -n 2 tests/contrib/non-blocking/simple [host-1:53732] *** An error occurred in MPI_Win_allocate [host-1:53732] *** reported by process [2077097985,0] [host-1:53732] *** on communicator MPI COMMUNICATOR 3 DUP FROM 0 [host-1:53732] *** MPI_ERR_WIN: invalid window [host-1:53732] *** MPI_ERRORS_ARE_FATAL (processes in this communicator will now abort, [host-1:53732] *** and potentially your MPI job) [host-1:53727] 1 more process has sent help message help-mpi-errors.txt / mpi_errors_are_fatal [host-1:53727] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages and $ ARMCI_USE_WIN_ALLOCATE=0 mpirun.openmpi -H host-1:1,host-2:1 -n 2 tests/contrib/non-blocking/simple [host-1:53740] *** An error occurred in MPI_Win_create [host-1:53740] *** reported by process [2079719425,0] [host-1:53740] *** on communicator MPI COMMUNICATOR 3 DUP FROM 0 [host-1:53740] *** MPI_ERR_WIN: invalid window [host-1:53740] *** MPI_ERRORS_ARE_FATAL (processes in this communicator will now abort, [host-1:53740] *** and potentially your MPI job) [host-1:53735] 1 more process has sent help message help-mpi-errors.txt / mpi_errors_are_fatal [host-1:53735] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages At the same time, an mpich build of armci-mpi/ga/nwchem performs normally as expected over multiple nodes. Jeff Hammond upstream concludes that Open-MPI is once again unusable for RMA purposes. The simplest work-around in the meantime is to recompile nwchem/armci-mpi/ga using mpich This can be relatively easily done in existing packages (rather than providing two separate mpi builds). Users would then have to be aware that they need to launch nwchem with mpirun.mpich not mpirun (while it still defaults to openmpi).
