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update overview of available software
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docs/available_software/detail/GROMACS.md

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ratingValue: 5
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softwareRequirements: See https://www.eessi.io/docs/ for how to make EESSI available
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on your system
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softwareVersion: '[''2025.4'', ''2025.2'', ''2024.4'', ''2024.3'', ''2024.1'']'
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softwareVersion: '[''2026.2'', ''2025.4'', ''2025.2'', ''2024.4'', ''2024.3'', ''2024.1'']'
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url: https://www.gromacs.org
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---
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# GROMACS
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|GROMACS version|Supported CPU targets|Supported GPU targets|EESSI version|Module|
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| --- | --- | --- | --- | --- |
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|2026.2|`generic`: `aarch64`, `x86_64`<br/><span class="software-cpu-arm">Arm</span>: `a64fx`, `neoverse_n1`, `neoverse_v1`, `nvidia/grace`<br/><span class="software-cpu-amd">AMD</span>: `zen2`, `zen3`, `zen4`<br/><span class="software-cpu-intel">Intel</span>: `haswell`, `skylake_avx512`, `sapphirerapids`, `icelake`, `cascadelake`<br/>|*(none)*|<span class="software-eessi-version-202506">2025.06</span>|`GROMACS/2026.2-foss-2025b`|
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|2025.4|`generic`: `aarch64`, `x86_64`<br/><span class="software-cpu-arm">Arm</span>: `a64fx`, `neoverse_n1`, `neoverse_v1`, `nvidia/grace`<br/><span class="software-cpu-amd">AMD</span>: `zen2`, `zen3`, `zen4`<br/><span class="software-cpu-intel">Intel</span>: `haswell`, `skylake_avx512`, `sapphirerapids`, `icelake`, `cascadelake`<br/>|*(none)*|<span class="software-eessi-version-202506">2025.06</span>|`GROMACS/2025.4-foss-2025b`|
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|2025.2|`generic`: `aarch64`, `x86_64`<br/><span class="software-cpu-arm">Arm</span>: `a64fx`, `neoverse_n1`, `neoverse_v1`, `nvidia/grace`<br/><span class="software-cpu-amd">AMD</span>: `zen2`, `zen3`, `zen4`<br/><span class="software-cpu-intel">Intel</span>: `haswell`, `skylake_avx512`, `sapphirerapids`, `icelake`, `cascadelake`<br/>|*(none)*|<span class="software-eessi-version-202506">2025.06</span>|`GROMACS/2025.2-foss-2025a`|
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|2024.4|`generic`: `aarch64`, `x86_64`<br/><span class="software-cpu-arm">Arm</span>: `neoverse_n1`, `neoverse_v1`, `nvidia/grace`<br/><span class="software-cpu-amd">AMD</span>: `zen2`, `zen3`, `zen4`<br/><span class="software-cpu-intel">Intel</span>: `haswell`, `skylake_avx512`, `sapphirerapids`, `icelake`, `cascadelake`<br/>|<span class="software-gpu-nvidia">NVIDIA</span>: `cc70`, `cc80`, `cc90`<br/>|<span class="software-eessi-version-202306">2023.06</span>|`GROMACS/2024.4-foss-2023b-CUDA-12.4.0`|
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|`gmxapi` version|GROMACS modules that include it|
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| --- | --- |
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|0.5.0a1|`GROMACS/2025.4-foss-2025b`|
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|0.5.0a1|`GROMACS/2026.2-foss-2025b`<br/>`GROMACS/2025.4-foss-2025b`|
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|0.5.0|`GROMACS/2024.1-foss-2023b`|
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|0.4.2|`GROMACS/2025.2-foss-2025a`<br/>`GROMACS/2024.4-foss-2023b-CUDA-12.4.0`<br/>`GROMACS/2024.4-foss-2023b`<br/>`GROMACS/2024.3-foss-2023b-PLUMED-2.9.2`<br/>`GROMACS/2024.3-foss-2023b`|

mkdocs.yml

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- icon: fontawesome/brands/twitter
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link: https://twitter.com/eessi_hpc
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# this gets auto-updated via update_generated_time.sh script run in update_available_software.yml action
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generated_time: "Wed, 03 Jun 2026 at 04:41:34 UTC"
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generated_time: "Tue, 09 Jun 2026 at 03:55:35 UTC"
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slack_invite_url: "https://join.slack.com/t/eessi-hpc/shared_invite/zt-2wg10p26d-m_CnRB89xQq3zk9qxf1k3g"
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extra_javascript:
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# mermaid diagram

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