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 architecture will not be supported further by the application (but it should still work). QE 14.10.0 is compatible with the latest QE. Just move the directory into the ESPRESSO_ROOT and run the configure accordingly. Compute capability of GPU C2050 is "sm_20". MPI is needed to run on the 8 GPUs. You can use OpenMPI if you do not have a license for Intel MPI. You need phiGEMM (self-compiled), you need MAGMA and you can skip scalapack Before trying the GPU version of QE please make sure you are able to compile, run and test correctness of your results on your server/cluster using the simple CPU-only version. HTH -- Mr. Filippo SPIGA, M.Sc. Quantum ESPRESSO Foundation http://fspiga.github.io ~ skype: filippo.spiga ***** Disclaimer: "Please note this message and any attachments are CONFIDENTIAL and may be privileged or otherwise protected from disclosure. The contents are not to be disclosed to anyone other than the addressee. Unauthorized recipients are requested to preserve this confidentiality and to advise the sender immediately of any error in transmission." > On Oct 24, 2015, at 3:30 PM, Dr. NG Siu Pang <roll...@cityu.edu.hk> wrote: > > 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 not sure if it works with the latest QE 5.2.1? > > So, I would like to have your advice on QE-GPU installation, and these are > already installed on OpenSUSE 12.3 > 1) CUDA Version: 6.5-14 > 2) CUDA Version: 6.0-37 > 3) Nvidia graphic driver, Name: nvidia-gfxG03-kmp-desktop, version: > 340.65_k3.7.10_1.1-32.1 > 4) Nvidia computing driver, Name: nvidia-computeG03, version: 340.65-32.1 > > Do I need to installed the following Intel tools instead of gcc? > 5) Intel composer_xe_2013 sp1.0.080 (what about the latest version? does > it work?) > 6) Intel ifort > 7) Intel MKL > 8) Intel MPI (so MPI is needed to run all 8 GPUs on the server?) > > Do I also need scalapack? Where can I get this? > > Do I need phigemm? Where can I get this as well? > > Thank you very much, > Rolly > > > 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. > > _______________________________________________ > Pw_forum mailing list > Pw_forum@pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum _______________________________________________ Pw_forum mailing list Pw_forum@pwscf.org http://pwscf.org/mailman/listinfo/pw_forum
