Differences
This shows you the differences between two versions of the page.
Both sides previous revision Previous revision Next revision | Previous revision | ||
doku:gromacs [2023/11/23 12:18] – [Many nodes with many GPUs] msiegel | doku:gromacs [2023/11/23 12:27] (current) – [Many ranks on many nodes with many GPUs] msiegel | ||
---|---|---|---|
Line 253: | Line 253: | ||
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 | + | 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: | ||
Line 299: | Line 299: | ||
}, | }, | ||
title: { | title: { | ||
- | text: ' | + | text: ' |
}, | }, | ||
xaxis: { | xaxis: { | ||
Line 384: | Line 384: | ||
}, | }, | ||
title: { | title: { | ||
- | text: ' | + | text: ' |
}, | }, | ||
xaxis: { | xaxis: { |