Build with openmp

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Forum Vet

9:25:38 AM PDT - Thu, Apr 18th 2013
Expected behavior
Mahmoud The nproc printed at the beginning of the NWChem output correctly reports the number of MPI processes spawned by your job. OMP_NUM_THREADS=8 will simply have 8 threads that will execute each MKL (=BLAS) call used in your NWChem run. Cheers, Edo