Dear Filippo, Thank you for the instruction. I think at first, I compile QE without GPU so pw.x was generated.
Then, I unzip and put the GPU folder into QE directory and then recompile, somehow I mess up the files when I tried to make clean the GPU compilation. So what I finally did is, remove the directory, untar QE and unzip the GPU folder to QE, then I rerun, ./configure CC=icc F90=ifort F77=ifort MPIF90=mpiifort --enable-parallel --disable-openmp --without-scalapack --enable-cuda --with-gpu-arch=sm_20--with-cuda-dir=/usr/local/cuda-6.5 --with-magma --with-phigemm make �Cj 12 all Then I found pw.x appeared in PW/src and ./check-pw.x.j runs ok and completed. I would like to run GPU on the examples in PW/examples. How can I do that? Should I modify the run_all_examples script? Regards, Rolly -----Original Message----- From: [email protected] [mailto:[email protected]] On Behalf Of Filippo Spiga Sent: 2015年10月28日 16:19 To: PWSCF Forum Subject: Re: [Pw_forum] QE-GPU 14.10.0 with intel compliers On Oct 27, 2015, at 5:29 PM, Dr. NG Siu Pang <[email protected]> wrote: > I used ./configure CC=icc F90=ifort F77=ifort MPIF90=mpiifort > ./PW/tests/check-pw.x.j runs all okay Weird, in another email you said it was not working. > I have copied GPU to the espresso-5.2.0 folder and I noticed that for > parallel configuration, I need to do $ cd GPU $ ./configure > --enable-parallel --enable-openmp --with-scalapack \ > --enable-cuda --with-gpu-arch=sm_35 \ > --with-cuda-dir=<full-path-where-CUDA-is-installed> \ > --without-magma --with-phigemm > $ cd .. > $ make -f Makefile.gpu pw-gpu > > These looks like using non-intel compliers, so can I use the following intead? > $ cd GPU > $ ./configure CC=icc F90=ifort F77=ifort MPIF90=mpiifort \ > --enable-parallel --enable-openmp --with-scalapack \ --enable-cuda > --with-gpu-arch=sm_35 \ > --with-cuda-dir=<full-path-where-CUDA-is-installed> \ --without-magma > --with-phigemm This is the server with 8 GPUs C2050? As I mentioned in the other email, "--with-gpu-arch" must be "sm_20" otherwise GPU code will fail. If you have 8 GPU into the same server, no point of having OpenMP and if you run on a single server probably no point of having ScaLAPACK. Try: $ ./configure CC=icc F90=ifort F77=ifort MPIF90=mpiifort --enable-parallel --disable-openmp --without-scalapack --enable-cuda --with-gpu-arch=sm_20--with-cuda-dir=<full-path-where-CUDA-is-installed> --with-magma --with-phigemm You must make sure mpirun handle bindings to cores and scatter across sockets (if more than one) properly otherwise performance may sucks. Or, if I guess correctly, export I_MPI_PIN=on export MPI_PIN_PROCESSOR_LIST=all:map=bunch mpirun -genvall -np 8 ./pw.x -input ... 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." _______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum 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 [email protected] http://pwscf.org/mailman/listinfo/pw_forum
