[Pw_forum] QE-GPU installation help

[Filippo Spiga]

Rolly,

if there is no pw.x executable how can you be so sure that compilation ended successfully?

I think you need to start from step 0. Logout from the current termina/ssh session (so environment is clean), erase your current espresso directory, untar it again, re-run the configure without export anything more than the necessary parts to detect Intel compilers and MKL, run "make -j2 all", re-run ./check-pw.x.j

A good netiquette policy for the mailing-list: do not cut & paste long output files, attach them. I personally ignore _every_ email longer than 50 lines. Thanks.

--
Mr. Filippo SPIGA, M.Sc.
Quantum ESPRESSO Foundation
http://fspiga.github.io ~ skype: filippo.spiga

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> On Oct 27, 2015, at 12:35 PM, Dr. NG Siu Pang <rollyng at cityu.edu.hk> wrote:
> 
> 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> 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, fax +39-0432-558222
> 
> 
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