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doku:gromacs [2023/11/23 12:18] – [Many nodes with many GPUs] msiegeldoku:gromacs [2023/11/23 12:27] (current) – [Many ranks on many nodes with many GPUs] msiegel
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 In most cases one node is **better** than more nodes. In most cases one node is **better** than more nodes.
  
-In some cases, for example a large molecule like Test 7, you might want to run GROMACS on multiple nodes in parallel using MPI, with multiple ''A100'' GPUs (one each node). We strongly encourage you to test if you actually benefit from running with GPUs on many nodes. GROMACS can perform worse on many nodes in parallel than on a single one, even considerably!+In some cases, for example a large molecule like Test 7, you might want to run GROMACS on multiple nodes in parallel using MPI, with multiple GPUs (one each node). We strongly encourage you to test if you actually benefit from running with GPUs on many nodes. GROMACS can perform worse on many nodes in parallel than on a single one, even considerably!
  
 Run GROMACS on multiple nodes with: Run GROMACS on multiple nodes with:
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     },     },
     title: {     title: {
-        text: 'GROMACS Benchmarks: Performance on multiple Nodes via MPI'+        text: 'GROMACS Benchmarks: Performance on multiple Nodes with dual A100 GPUs each via MPI'
     },     },
     xaxis: {     xaxis: {
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     },     },
     title: {     title: {
-        text: 'GROMACS Benchmarks: Performance with various Ranks on 2 Nodes with 1 GPU each'+        text: 'GROMACS Benchmarks: Performance with various Ranks on 2 Nodes with dual A100 GPUs each'
     },     },
     xaxis: {     xaxis: {
  • doku/gromacs.1700741880.txt.gz
  • Last modified: 2023/11/23 12:18
  • by msiegel