NWChem 6.5 and Intel Xeon Phis with intel 14.0.3 and intelmpi 4.1.3


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ARMCI_OPENIB_DEVICE mlx4_0
Did you set ARMCI_OPENIB_DEVICE=mlx4_0?

http://nwchemgit.github.io/index.php/Compiling_NWChem#How-to:_Intel_Xeon_Phi