[CPMD-list] Mysterious (to me) Error

[Jim Kress]

While executing the attached input file using CPMD 3.7.2 on a RH 7.3 Linux
cluster CPMD compiled with PGF and MPI, I get what appears to be a MPI
related error (see attached output file).  However, when I run an similarly
structured 32water plus hydronium ion input file from Axel's website, it
runs just fine.

Any ideas why this fails?  It is absolutely repeatable on my cluster and the
failure is independent of the number of nodes being used.

Thanks.

Jim
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