Dear Sergey, T4 won’t help you much, even if you manage to compile QE to work with it. You need a GPU with high double-precision performance, such as V100 or P100. Best regards, Michal Krompiec Merck KGaA
On Sat, 5 Sep 2020 at 22:03, Sergey Lisenkov <[email protected]> wrote: > Dear all, > > I have an access to our new cluster - IBM Power9 (each node has 2 x 20 > cores + 4 Nvidia T4 GPU). It seems it is very similar to Marconi100, which > seems to be very familiar to many of users here. > > Anyway, I'm trying to utilize GPU version of Quantum EspreSSO, but I have > almost no experience with that. I was reading WIKI at QE-GPU, so I was able > to compile it. We have PGI and GNU compilers installed, IBM Spectrum MPI > and OpenMPI, ESSL library. > > According to some templates, I was able to compile PW.x using PGI/IBM > Spectrum MPI, FFTW3, and ESSL. CPU version is quite slow on such cluster > (almost twice slower than on Cray XC40). > > But I'm not sure how to correctly run GPU version. Since each node has 4 > GPU, it means pw.x runs only on 4 GPU, and 40 CPU cores are idle? > Unfortunately, our cluster does not have too much documentation, so I use > google to find out how to utilize such system. We have LSF installed, > unfortunately, because all similar systems use SLURM. > > If somebody runs GPU Q-E, can you share some examples how to correctly run > the code? > > Thanks, > Sergey > _______________________________________________ > > Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso) > > users mailing list [email protected] > > https://lists.quantum-espresso.org/mailman/listinfo/users
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