nwchem-6.6 ifort, segmentation fault


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Forum Vet
MKL
First, let's try MKL.
What version of Intel compiler are you using?
In other words, what's the output of ifort -V?
Based on the version of ifort you are using, we need to choose the correct value of BLASOPT by using the Intel MKL advisor
https://software.intel.com/en-us/articles/intel-mkl-link-line-advisor