It is simply because you do not have the required library in the cluster where you submit the job. This should be solved by your system manager of the cluster. It can be simply solved by giving correctly the compiler and libraries in your submission script.
Cheers, Sky -------------------------------------------------------------------------------------------------- Jianqiang (Sky) ZHOU European Theoretical Spectroscopy Facility Institut des NanoSciences de Paris (INSP) Sorbonne Université - Case 840 - 4 place Jussieu Barre 2232, étage 2, pièce 11 75005 PARIS http://etsf.polytechnique.fr/People/Sky<https://theory.polytechnique.fr/squirrelmail/src/compose.php?send_to=gaelle.bruant%40polytechnique.edu> tel : +33 (0)1 69 33 44 85 ________________________________ 发件人: users <users-boun...@lists.quantum-espresso.org> 代表 Paolo Giannozzi <p.gianno...@gmail.com> 发送时间: 2018年11月19日 14:15 收件人: Quantum Espresso users Forum 主题: Re: [QE-users] Problem when running pw.x relax calculation on supercomputer On Mon, Nov 19, 2018 at 3:04 PM Chan, Edmund <thc...@exeter.ac.uk<mailto:thc...@exeter.ac.uk>> wrote: It is not a problem regarding submitting the job to supercomputer it is not a problem of QE either. See here: https://www.quantum-espresso.org/Doc/pw_user_guide/node21.html#SECTION00060010000000000000 Paolo -- Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
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