"the calculation stopped just in the beginning." Considering that in our machines the job has been running fine for 5 hours, I would guess that the problem is the QE installation, in the libraries more specifically. You could try reinstalling QE using Intel MKL libraries.
Fabio -----Original Message----- From: martins <mart...@if.uff.br> To: pw_forum <pw_forum at pwscf.org> Sent: Tue, Aug 30, 2011 1:12 pm Subject: [Pw_forum] Problem with Ni/Ni3Al system Dear Gabriele and Fabio, thanks for your replies! With relation to the Gabriele's concerns: i) I use gfortran compiler under linux (Debian). The linear algebra packages are the standart for the distribution. I use too the MPICH to run the paralel jobs. ii) With relation to the ecutrho variable, really I did not to improve its value. On the other hand, as Fabio told, the same input file runned in the Fabio's and Eugenio's machines. Moreover, I did some calculations (in paralel) to another supercells and they were fine. Concerning the Fabio's question, Concerning the Fabio's question, the calculation stopped just in the beginning. One more time, thanks! Adriano ------------------------------------ Adriano de Souza Martins Professor Adjunto III Departamento de F?sica - ICEx Polo Universit?rio de Volta Redonda Universidade Federal Fluminense ------------------------------------ ---------------------------------------------------------------- This message was sent using IMP, the Internet Messaging Program. _______________________________________________ Pw_forum mailing list Pw_forum at pwscf.org http://www.democritos.it/mailman/listinfo/pw_forum -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20110830/c61807d2/attachment.htm
