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doku:gromacs [2023/02/17 17:58] – [GPU Partition] msiegeldoku:gromacs [2023/02/21 11:27] – [GROMACS] goldenberg
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   - Use the most recent version of GROMACS that we provide or build your own.   - Use the most recent version of GROMACS that we provide or build your own.
-  - Use the newest Hardware: the partitions ''gpu_a40dual'' or ''gpu_gtx1080single'' on VSC3 have plenty nodes available.+  - Use the newest Hardware: the partitions ''zen2_0256_a40x2'' or ''zen3_0512_a100x2'' on VSC5 have plenty nodes available.
   - Read our article on [[doku:gromacs_multi_gpu|multi GPU]] setup and do some performance analysis.   - Read our article on [[doku:gromacs_multi_gpu|multi GPU]] setup and do some performance analysis.
   - Run on multiple nodes with MPI; each with 1 GPU   - Run on multiple nodes with MPI; each with 1 GPU
  • doku/gromacs.txt
  • Last modified: 2023/11/23 12:27
  • by msiegel