On Tue, Jul 7, 2015 at 2:09 PM, Ludwig, Stephan < [email protected]> 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
_______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
