Problem building NWChem version 6.5 on IB cluster with MKL & IntelMPI

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1:36:45 PM PDT - Wed, May 20th 2015
Simply add the following to the scripts you will use to run NWChem jobs and OpenMP will never kick in `export OMP_NUM_THREADS=1` Quote:Rdauria May 20th 12:19 pm Hello again, I see that openmp is also switched on by default. However this could end up being a mess with having to set up a host file for parallel run. Is there a way to switch opnemp off? Is every part of the code using openmp? Thanks, Raffaella.