[Pw_forum] GIPAW acceleration

[Yasser Fowad AlWahedi]

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
Assistant Professor
Khalifa University of Science and Technology
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