[Pw_forum] QE-GPU performance

[Rolly Ng]

Dear Phanikumar,

Please include your affiliation when posting to the forum.

In my experience with QE-GPU v5.3.0 and v5.4.0, the working combination 
of software is,

1) Intel PSXE 2017

2) CUDA 6.5 or 7.0

3) Centos 7.1

Please try the above combination.

Regards,
Rolly

PhD. Research Fellow,
Dept. of Physics & Materials Science,
City University of Hong Kong
Tel: +852 3442 4000
Fax: +852 3442 0538

On 12/10/2017 11:31 AM, Phanikumar Pentyala wrote:
> Dear users and developers
>
> Currently I am using two Tesla K40m cards for my computational work on 
> quantum espresso (QE). My GPU enabled QE code running very slower than 
> normal version. My question was weather particular application will be 
> fast only in some versions of CUDA toolkit? (as mentioned in previous 
> post: http://qe-forge.org/pipermail/pw_forum/2015-May/106889.html) OR 
> is there any other reason hindering performance (memory) of GPU? (when 
> I am hitting top command in my server, option of 'VIRT' showing 
> different values (top command pasted in attached file))
>
> Some error was generating while submitting code that "A 
> high-performance Open MPI point-to-point messaging module was unable 
> to find any relevant network interfaces: Module: OpenFabrics (openib)  
> Host: XXXX Another transport will be used instead, although this may 
> result in lower performance". Is this MPI thread hindering GPU 
> performance ?
>
> (P.S: We don't have any Infiband adapter HCA in server)
>
>
> Current details of server are (full details attached):
>
> Server: FUJITSU PRIMERGY RX2540 M2
> CUDA version: 9.0
> NVIDIA driver: 384.9
> openmpi version: 2.0.4 with intel mkl libraries
> QE-gpu version : 5.4.0
>
>
> Thanks in advance
>
> Regards
> Phanikumar
>
>
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://pwscf.org/mailman/listinfo/pw_forum

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20171210/35e7e383/attachment.html>