Large scale and hybrid computing with CP2K - Prace Training Portal
Large scale and hybrid computing with CP2K - Prace Training Portal
Large scale and hybrid computing with CP2K - Prace Training Portal
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Many-core era: OMP/MPIMain benefits:➔ Increase memory per MPI task➔ Extend the scalability plateau➔ Access >10000s of cores➔ Interface to GPU (XK6)➔ Speedups for some parts of the codeMain issues:➔ Loop level OMP is not sufficient➔ Analyzing OMP performance difficult➔ Non-deterministic threading bugs➔ Libraries (scalapack) poorly threaded➔ Compilers & toolsRosa XE6 dataHere computer centers can help! EPCC (EPSRC/PRACE funded) did so.
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