Eigenvectors failed to converge in nwChem 6.8

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Dear all,

we are currently trying to deploy the 6.8 on release on our cluster using the Intel compilers, MKL and Intel MPI from 2018 Update 2. When running our examples, e.g. the C240 Buckyball example from the wiki, the run terminates with the following error message from the PDSYEVD routine:

PDSTEDC parameter number 10 had an illegal value
{ 1, 28}: On entry to
PDSTEDC parameter number 10 had an illegal value
[0] Received an Error in Communication: (-10) 0: ga_pdsyevd: eigenvectors failed to converge:
application called MPI_Abort(comm=0x84000004, -10) - process 0

repeated for all ranks.

Does someone maybe have an idea what the issue could be here?


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