Available software
| Name | Version | Hosts | Location | Maintainer |
|---|---|---|---|---|
| amber (with ambertools) |
18 | all | /opt/amber18/* |
@Pawel |
| CUDA | 12.2 | troll-[2,4,6-14] | /usr/* |
@Pawel |
| CUDA | 12.7 | troll-15 | /usr/* |
@Pawel |
| CUDA | 13.0 | troll-5 | /usr/* |
@Pawel |
| gromacs with cp2k | 2023.1 | all | /opt/gromacs-2023/* - on trolls with newer GPUs: troll-[8-15] |
@Pawel |
| gromacs | 2023.1 | all | /opt/gromacs-2023/* |
@Pawel |
| python | 3.[9-13] | all | /usr |
@Pawel |
| sagemath | 9.5-4 | all | /usr |
@Pawel |