NWChem compilation in mixed cluster


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Gets Around
https://software.intel.com/en-us/articles/nwchem-for-the-intel-xeon-phi-coprocessor has the Intel documentation for building NWChem on an Intel Xeon Phi cluster. Those docs assume Mellanox InfiniBand, which I assume is what you have because you say it's FDR.

The NWChem documentation already covers the ubiquitous case of Intel Xeon CPUs and Mellanox InfiniBand with 64-bit Linux.