How to build GROMACS¶
|
Software
|
Version
|
Cluster
|
|---|---|---|
|
GROMACS
|
2023-cpeGNU-22.06-gpu
|
Dardel-GPU
|
The tool was installed using EasyBuild https://docs.easybuild.io/en/latest/
ml PDC/22.06
ml easybuild-user/4.6.2
eb gromacs-2023-cpeGNU-22.06-gpu.eb --robot
See also Installing software using EasyBuild
Disclaimer¶
PDC takes no responsibility for the correctness of results produced with the binaries. Always evaluate the binaries against known results for the systems and properties you are investigating before using the binaries for production jobs.