Re: [Pw_forum] QE-GPU installation help

2015-10-28 Thread Filippo Spiga
e, > 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

Re: [Pw_forum] QE-GPU installation help

2015-10-27 Thread Dr. NG Siu Pang
538 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 mailto:roll...@cityu.edu.hk>> wrote: Are thes

Re: [Pw_forum] QE-GPU installation help

2015-10-27 Thread Paolo Giannozzi
On Tue, Oct 27, 2015 at 10:45 AM, Dr. NG Siu Pang 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,

Re: [Pw_forum] QE-GPU installation help

2015-10-27 Thread Dr. NG Siu Pang
FFT_LIBS from MKL? Thanks, Rolly -Original Message- From: pw_forum-boun...@pwscf.org [mailto:pw_forum-boun...@pwscf.org] On Behalf Of Dr. NG Siu Pang Sent: 2015年10月27日 17:00 To: PWSCF Forum Subject: Re: [Pw_forum] QE-GPU installation help Dear Filippo, Thank you very much for the

Re: [Pw_forum] QE-GPU installation help

2015-10-27 Thread Dr. NG Siu Pang
refix}/share' dflags='' docdir='${datarootdir}/doc/${PACKAGE_TARNAME}' dvidir='${docdir}' elpa_libs_switch='' exec_prefix='NONE' extlib_flags='' f77='' f90='gfortran' f90flags='$(FFLAGS) -x f95-cpp-input'

Re: [Pw_forum] QE-GPU installation help

2015-10-25 Thread Filippo Spiga
Dear Rolly, GCC is fine, you do not need Intel compilers if you do not have a license. MKL is preferable. C2050 are quite old cards, I am not running or testing that GPU architecture since at least beginning 2014 and because of the current trends in CPU and GPU architecture this old architectu

[Pw_forum] QE-GPU installation help

2015-10-24 Thread Dr. NG Siu Pang
Dear all, I would like to test the GPU acceleration on QE and we have a server with 8x C2050 GPU cards running OpenSuSE 12.3. I have searched https://github.com/fspiga/QE-GPU, but I found that the latest QE-GPU 14.10.0 is designed for QE 5.1. Since QE-GPU 14.10.0 was dated back to 2014, I am n