| 2:33:02 PM PDT - Wed, Jul 20th 2011 |
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Does anyone have info on building version 6 on an SGI Altix ICE (Dual quad Intel Nehalems, Infiniband interconnect, ifort with SGI or Intel MPI)?
I've tried with ARMCI_NETWORK = MPI-SPAWN, OPENIB, and none at all - always the same error.
setenv NWCHEM_TOP $WORKDIR/nwchem-6.0
setenv NWCHEM_MODULES "all"
setenv USE_MPI y
setenv LIBMPI "-lmpi"
setenv LARGE_FILES TRUE
setenv ARMCI_NETWORK MPI-SPAWN
setenv NWCHEM_TARGET LINUX64
setenv USE_64TO32 y
setenv HAS_BLAS yes
setenv BLASOPT "-lmkl_intel_lp64 -lmkl_sequential -lmkl_core"
alias gmake "make FC=ifort FFLAGS=-O2"
> mpiexec_mpt -n 1 /usr/local/usp/nwchem/6.0/bin/nwchem qmmm_grad0.nw
MA internal error: MAi_inform_base: invalid datatype: 4337916969969
MA internal fatal error: MA_sizeof: unable to set sizes of FORTRAN datatypes
MPI: MPI_COMM_WORLD rank 0 has terminated without calling MPI_Finalize()
MPI: aborting job
Any guidance is appreciated.
Thanks, Chris
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