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
