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
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