GROMACS on Bridges-2: Optimizing Job Scripts for Performance and Efficiency

Описание к видео GROMACS on Bridges-2: Optimizing Job Scripts for Performance and Efficiency

There are many factors that affect the performance of a GROMACS job on Bridges-2. This webinar will discuss the run-time options that researchers can explore to get the most out of their allocations. Planned topics include use of exclusive and shared scheduler partitions, use of GPU accelerators, threading implementations and MPI, and balancing computational work between GPUs, CPUs, MPI processes, and OpenMP threads.

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