Compile NWChem with Intel 2017 (MPI + MKL)

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Hello Edoapra,
thank you very much to reply me. Unfortunately, I'm getting the same error if I'll use OMP_NUM_THREADS=1. The error is reported even if I compile the code with pure Intel MPI (i.e. without "export USE_OPENMP=y"). Dose it suggest you something?

By the way, I saw an error in my previous post. Before "make ... version", I'm changing directory to $NWCHEM_TOP/src/util, not tools.

I'm really sorry to reply you so late. I was busy with another project that should take only a couple of days more. Thank you once again for your help and see you soon,

Cyberwolf


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