[DFTB-Plus-User] MD-DFTB jobs get stuck

[Bálint Aradi]

Dear Natalia,

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.

  Best regards,

  Bálint

-- 
Dr. Bálint Aradi
Bremen Center for Computational Materials Science, University of Bremen
http://www.bccms.uni-bremen.de/cms/people/b-aradi/


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