Compiling NWChem with Intel 2016

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After scouring the Intel forums I think I've found the bug. It relates to this:

https://software.intel.com/en-us/forums/intel-clusters-and-hpc-technology/topic/610561

When I use the suggested workaround I_MPI_SHM_LMT=shm, both the pingpong test and NWChem run successfully to completion.

Apparently this problem is specific to Ubuntu. Hopefully as it is a known issue it will disappear in future releases of the Intel MPI library (I am currently using 5.1.3).

Tom


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