@@ -60,6 +60,7 @@ It also contains the gmxapi extension for the single precision MPI build.
6060| GROMACS version| Supported CPU targets| Supported GPU targets| EESSI version| Module|
6161| --- | --- | --- | --- | --- |
6262| 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 ` , ` zen5 ` <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 ` |
63+ | 2025.4| ` 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 ` , ` zen5 ` <br /><span class =" software-cpu-intel " >Intel</span >: ` haswell ` , ` skylake_avx512 ` , ` sapphirerapids ` , ` icelake ` , ` cascadelake ` <br />| <span class =" software-gpu-nvidia " >NVIDIA</span >: ` cc100 ` , ` cc120 ` , ` cc70 ` , ` cc80 ` , ` cc90 ` <br />| <span class =" software-eessi-version-202506 " >2025.06</span >| ` GROMACS/2025.4-foss-2025b-CUDA-12.9.1 ` |
6364| 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 ` , ` zen5 ` <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 ` |
6465| 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 ` , ` zen5 ` <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 ` |
6566| 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 ` |
@@ -78,6 +79,6 @@ Overview of extensions included in GROMACS installations
7879
7980| ` gmxapi ` version| GROMACS modules that include it|
8081| --- | --- |
81- | 0.5.0a1| ` GROMACS/2026.2-foss-2025b ` <br />` GROMACS/2025.4-foss-2025b ` |
82+ | 0.5.0a1| ` GROMACS/2026.2-foss-2025b ` <br />` GROMACS/2025.4-foss-2025b-CUDA-12.9.1 ` < br /> ` GROMACS/2025.4-foss-2025b ` |
8283| 0.5.0| ` GROMACS/2024.1-foss-2023b ` |
8384| 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 ` |
0 commit comments