Problem building NWChem version 6.5 on IB cluster with MKL & IntelMPI


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Just Got Here
I am also compiling on Intel, with MKL, although using a derivative of OpenMPI.

The compilation works, but when running an example I get:

mpirun -np 2 nwchem ccsdt_polar_small.nw
argument  1 = ccsdt_polar_small.nw
MA fatal error: MA_sizeof: invalid datatype: 343597384693
MA fatal error: MA_sizeof: invalid datatype: 343597384693
...
other failure messages

I pretty sure this is due to an issue with regards to MKL components, but I am not sure what it is I am doing wrong to get this. I am forcing 4 byte integers and 32 bit interfaces to go with it using the following