[Pw_forum] simulations at 100 nodes

Paolo Giannozzi giannozz at democritos.it
Tue Mar 9 11:31:28 CET 2010


Duy Le wrote:

> You need more memory for large number of k-points.

not exactly. If you store wavefunctions in memory (disk_io='low')
you need an array (number of k-points)*(size of wavefunctions).
Otherwise, the number of k-points affects only marginally the
amount of needed memory

P.
-- 
Paolo Giannozzi, Democritos and University of Udine, Italy





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