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


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Hell Edo,

I followed the steps you suggested and I was able to produce an output (not sure whether it will be able to run everywhere on the cluster as the compiler flag xHost was turned on). However when I tried to run some of the examples I faced this problem (which we have been encountering on the current version that we have installed here, and that was what prompted us to move to the latest version):

0:Segmentation Violation error, status=: 11
(rank:0 hostname:n2180 pid:20922):ARMCI DASSERT fail. ../../ga-5-3/armci/src/common/signaltrap.c:SigSegvHandler():310 cond:0
Last System Error Message from Task 0:: Inappropriate ioctl for device
application called MPI_Abort(comm=0x84000001, 11) - process 0


I think I will start a fresh with a newly unpacked version of the source. In the meantime any guidance on this error that seems to be associated with using the intel compiler (from version 13 and up) would be much appreciated.

Thanks,

Raffaella.