26 - HPC-Cafe 2022-03-08: Gromacs - Best practices/ClipID:41131 previous clip next clip

Recording date 2022-03-08
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Organisational Unit

Zentrum für Nationales Hochleistungsrechnen Erlangen (NHR@FAU)


Zentrum für Nationales Hochleistungsrechnen Erlangen (NHR@FAU)

Anna Kahler from NHR@FAU will present benchmark data and best practices for running the molecular dynamics software GROMACS on the GPU and CPU clusters at our center. A special focus will be on the effective use of the GPUs in TinyGPU and Alex. Given the considerable cost of these resources, it is crucial that all users do their best to make good use of the hardware.

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