namd2023
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namd2023 [2024/02/28 21:28] root |
namd2023 [2024/03/04 19:39] root |
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| ==GPU== | ==GPU== | ||
| - | Here using the number of cores available on the node (24/32/64) and one GPU (two or more GPUs ``devices 0,1,2,3`` scale poorly, not recommended or approved for AHPCC public use partitions). | + | Here using the number of CPU cores available on the node (24/32/64) and one GPU (two or more GPUs ``devices 0,1,2,3`` scale poorly, not recommended or approved for AHPCC public use partitions). |
| + | This is a simulation that takes about 3.5 GB of GPU memory. With a smaller simulation that takes about 400 MB of GPU memory, | ||
| On the ``gpu72`` nodes with Intel 6130 and single NVidia V100, it's about 5 times faster than the best CPU version, so are a good use case. On ``agpu72`` nodes with AMD7543 and single A100, it's only about 10% faster than 6130/V100, so that's not a good use case for the more expensive AMD/A100 nodes, unless gpu memory requires the newer GPU. The even more expensive multi-gpu ``qgpu72`` nodes also don't scale well over single-gpu and are not a good use case. | On the ``gpu72`` nodes with Intel 6130 and single NVidia V100, it's about 5 times faster than the best CPU version, so are a good use case. On ``agpu72`` nodes with AMD7543 and single A100, it's only about 10% faster than 6130/V100, so that's not a good use case for the more expensive AMD/A100 nodes, unless gpu memory requires the newer GPU. The even more expensive multi-gpu ``qgpu72`` nodes also don't scale well over single-gpu and are not a good use case. | ||
namd2023.txt · Last modified: 2024/03/04 19:55 by root
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