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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