[Pw_forum] phonon q2r problem
Paolo Giannozzi
p.giannozzi at gmail.com
Tue Jul 7 14:44:12 CEST 2015
On Tue, Jul 7, 2015 at 2:09 PM, Ludwig, Stephan <
stephan.ludwig at pi1.physik.uni-stuttgart.de> wrote:
> Does this mean I can't run q2r on clusters?`
>
not necessarily so. It might also be a memory problem, although it
shouldn't use that much memory (at least, not for asr='simple'). Try to
copy the needed files (BaFe2As2_20K.dyn*) to a serial machine, run q2r, and
if it still crashes, run it with debug flags on and try to figure out where
and why it crashes
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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