Dear Paolo, Thank you.
make all has completed. But as I run the test, zgdeng@NVGPU-P2807:~/QE520/espresso-5.2.0/PW/tests> ./check-pw.x.j Checking atom-lsda..../check-pw.x.j: line 259: /home/zgdeng/QE520/espresso-5.2.0/PW/src/pw.x: No such file or directory FAILED with error condition! Input: atom-lsda.in, Output: atom-lsda.out, Reference: atom-lsda.ref Aborting When I check espresso-5.2.0/PW/src/, there is no pw.x What should I do? Thank you, Rolly PhD, Research Fellow, Department of Physics and Materials Science, City University of Hong Kong Tel: +852 3442 4000 Fax:+852 3442 0538 From: pw_forum-boun...@pwscf.org [mailto:pw_forum-boun...@pwscf.org] On Behalf Of Paolo Giannozzi Sent: 2015年10月27日 18:12 To: PWSCF Forum Subject: Re: [Pw_forum] QE-GPU installation help On Tue, Oct 27, 2015 at 10:45 AM, Dr. NG Siu Pang <roll...@cityu.edu.hk<mailto:roll...@cityu.edu.hk>> wrote: Are these 2 comes with MKL? yes How can I tell QE to use the LAPACK_LIBS and FFT_LIBS from MKL? you don't need to do anything Paolo -- Paolo Giannozzi, Dept. Chemistry&Physics&Environment, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216<tel:%2B39-0432-558216>, fax +39-0432-558222<tel:%2B39-0432-558222> Disclaimer: This email (including any attachments) is for the use of the intended recipient only and may contain confidential information and/or copyright material. If you are not the intended recipient, please notify the sender immediately and delete this email and all copies from your system. Any unauthorized use, disclosure, reproduction, copying, distribution, or other form of unauthorized dissemination of the contents is expressly prohibited.
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