GROMACS
Description
GROMACS is a versatile package to perform molecular dynamics, i.e. simulate the Newtonian equations of motion for systems with hundreds to millions of particles.
This is a CPU only build, containing both MPI and threadMPI builds for both single and double precision.
It also contains the gmxapi extension for the single precision MPI build.
More information
Homepage: https://www.gromacs.org
Included extensions
gmxapi-0.2.2.1
Availability
Module |
Generic |
E5 |
Lake |
Epyc |
Cascade |
|---|---|---|---|---|---|
✓ |
|||||
✓ |
|||||
✓ |
✓ |
✓ |