[Pw_forum] QE-GPU installation help

[Dr. NG Siu Pang]

Dear Paolo,

Thank you.

make all has completed.

But as I run the test,
zgdeng at 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-bounces at pwscf.org [mailto:pw_forum-bounces at 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 <rollyng at cityu.edu.hk<mailto:rollyng at 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>



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