On Wed, 2014-05-14 at 18:02 +0800, 庞瑞 wrote: > I used a GPU version pw.x you used "which" GPU version? P. -- Paolo Giannozzi, Dept. Chemistry&Physics&Environment, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222