export NWCHEM_EXECUTABLE="/MD/azat/nwchem-6.6/bin/LINUX64/nwchem"
export MPIRUN_PATH=/usr/lib64/mpi/gcc/openmpi/bin
export MPIRUN_NPOPT=-n
doqmtests.mpi and runtest.md scripts as described above, but first
edit those files to substitute "runtests.mpi.unix" for "runtests.unix"
and "runtest.unix"