On Thu, Jul 9, 2015 at 12:38 PM, Ludwig, Stephan < [email protected]> wrote:
> Kohn-Sham Wavefunctions 7508.34 Mb ( 935488, 526) > > NL pseudopotentials 20098.38 Mb ( 935488, 1408) > Auxiliary wavefunctions 30033.37 Mb ( 935488, 2104) > You are trying to run a job with 935488 plane waves, 526 bands, 1408 projectors, PER PROCESS. These are sensible numbers for a 250-atom unit cell, but you have to run such a job in parallel, distributing plane waves across processors (something that you are clearly NOT doing) Paolo -- Paolo Giannozzi, Dept. Chemistry&Physics&Environment, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
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