[DFTB-Plus-User] MD-DFTB jobs get stuck
aradi at uni-bremen.de
Fri May 31 08:18:39 CEST 2019
Is the last output of your job still normal, or does it contain any
error messages? Is it a parallel or a serial binary, which you use? And
finally, did you try to change the eigensolver? The implementations of
the diagonaliser (especially if you use an MPI-parallelised job) may
differ, depending on your system.
Dr. Bálint Aradi
Bremen Center for Computational Materials Science, University of Bremen
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