[Smeagol-discuss] some wrong with *.psf file
lvxiaoling2009
lvxiaoling2009 at 126.com
Tue May 25 08:07:05 IST 2010
Dear all
I have installed the smeagol . But when I run it ,there ocurred some wrong with it . I check my mpich and I think there's nothing wrong with it. I am in trouble Whether smeagol need *.psf file . I didn't give it this file, I think smeagol can find it automatically.
Termi ocurred the below information.
read_pseudo: ERROR: Pseudopotential file not found: Mg.psf
Stopping Program
MPI_ABORT was invoked on rank 0 in communicator MPI_COMM_WORLD
with errorcode 1.
NOTE: invoking MPI_ABORT causes Open MPI to kill all MPI processes.
You may or may not see output from other processes, depending on
exactly when Open MPI kills them.
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