[Pw_forum] GIPAW acceleration
Yasser Fowad AlWahedi
yaalwahedi at pi.ac.ae
Thu Jul 13 10:02:55 CEST 2017
Dear GIPAW users,
For nmr shifts calculations, I am suffering from the extreme slowness of GIPAW nmr shifts calculations. I have noticed that GIPAW write off the results frequently for restart purposes. In our clusters we have mechanical hard drives which stores the off data for. Could that be a reason for its slowness?
Yasser Al Wahedi
Khalifa University of Science and Technology
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