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| doku:gromacs [2022/07/15 11:36] – msiegel | doku:gromacs [2023/02/17 17:58] – [GPU Partition] msiegel | ||
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| hardware, for example the partition '' | hardware, for example the partition '' | ||
| 1 GPU and a single socket à 4 cores, with 2 hyperthreads each core, | 1 GPU and a single socket à 4 cores, with 2 hyperthreads each core, | ||
| - | listed at [[doku:vsc3gpuqos | + | listed at [[doku:vsc-gpuqos| GPU Partitions on VSC]]. Thus here it |
| makes sense to let GROMACS run on 8 threads ('' | makes sense to let GROMACS run on 8 threads ('' | ||
| makes little sense to force more threads than that, as this would lead | makes little sense to force more threads than that, as this would lead | ||