G vector not found
Anders
ande... at gmail.com
Thu Apr 13 17:17:06 UTC 2017
Hi all
I am trying to do a NPT simulation for a molecular crystal, but it fails
after the first SCF with the error “G vector not found”? and some output
shown below.
--------------------------------------------------------------------------
G-vector 7 14991.2062900574
G-vector 1 103764.4308492253
--------------------------------------------------------------------------
MPI_ABORT was invoked on rank 0 in communicator MPI_COMM_WORLD
with errorcode 1.
Best wishes
Anders
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