Why the unilization ratio of CPU is more than 100% in the running process of nwchem?

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Forum Vet

4:16:59 PM PDT - Mon, May 19th 2014
Gvtheen The CPU utilization of NWChem can occasionally be higher of 100% on some platforms, but never higher than 200%. Since you are observing a value of 300%, I think that are some issues in your NWChem installation. What is the option you used to link NWChem with MKL? Did you set the number of threads (both for MKL and OpenMP) to 1? (e.g. OMP_NUM_THREADS=1 MKL_NUM_THREADS=1)