This might be caused by the conflicts between NWCHEM6.6 and Dalton2016.2, LSDalton1.2 or Dirac16 on MacOS Sierra 10.12.1 and later, because sometimes command env|grep MPI_ exhibited
MPI_INCLUDE=/usr/local/Cellar/mpich/3.2_2/include
MPI_LIB=/usr/local/Cellar/mpich/3.2_2/lib
DIRAC_MPI_COMMAND=mpirun -np 4 ( DIRAC installation command)
or blank.
On previously released MacOS editions, no such phenomena were observed.
I will try to compile NWChem6.6 on a just released small but powerful HP Z2 mini G3 workstation,
where the CPU is Core i7 6700, which will have Fedora or RHEL desktop workstation installed.
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