NWChem 6.8.1 with MPI support on Ubuntu 18.04. Help?
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Forum Vet
11:05:43 AM PST - Wed, Jan 23rd 2019
This behavior might be due to the threaded BLAS/LAPACK that are spawning multiple threads to maximize CPU usage.
To prevent this, please add the following env. variables settings to your environment
export OMP_NUM_THREADS=1
export OPENBLAS_NUM_THREADS=1
export GOTO_NUM_THREADS=1