Dear Alexander, On Mar 25, 2014, at 5:29 AM, Alexander G. Kvashnin <agkvashnin at gmail.com> wrote: > Dear QE users and developers, > > Recently I compiled QE-GPU on my system with GPU NVidia Tesla K20Xm. > I have CUDA ver. 5.5. > Intel MPI 4.1.3.048 > Intel Compiler 14.0 > > I compiled GPU-QE using the instruction on the website. I downloaded > espresso-5.0.2, than downloaded QE-GPU-14.01.0 with patch file. After the > patching I type a configuration command: > > ./configure > LAPACK_LIBS=/opt/intel/composer_xe_2013_sp1.2.144/mkl/lib/intel64/libmkl_lapack95_lp64.a > --enable-openmp --enable-parallel --enable-cuda --with-gpu-arch=30 > --with-cuda-dir=/opt/cuda/5.5 --enable-phigemm --enable-magma
"--with-phigemm" and "--with-magma" are the correct. i will add a check that, if someone spell those wrong, the configure step will halt completely. I am going to check the website and the README too to verify there is consistency in the instructions. I do suggest to do _not_ specify any BLAS/LAPACK/SCALAPACK variable in the configure line but edit the make.sys after! > After successful configuration I compile pw-gpu.x and everything was fine. > Then I tried to test the performance of this system compared with common HPC. > But I have troubles. As I understand commonly 1 process goes to 1GPU, so I > need to run 2 MPI processes on my host with 2 GPUs. If I am wrong, please, > tell me where? After the start I have the error message: > > %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% > task # 0 > from cdiaghg : error # 61 > diagonalization (ZHEGV*) failed > %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Probably because MAGMA is used (there should be a message on top of the output). Next version will print a lot of information on top of the file so it is possible to understand how the application has been compiled and what features are active. Can you try recompiling using "--without-magma"? Thanks F -- Mr. Filippo SPIGA, M.Sc. http://www.linkedin.com/in/filippospiga ~ skype: filippo.spiga ?Nobody will drive us out of Cantor's paradise.? ~ David Hilbert ***** 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."
