Binary package “gromacs-mpi” in ubuntu jammy
Molecular dynamics sim, binaries for MPI parallelization
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.
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It is primarily designed for biochemical molecules like proteins and lipids
that have a lot of complicated bonded interactions, but since GROMACS is
extremely fast at calculating the nonbonded interactions (that usually
dominate simulations) many groups are also using it for research on non-
biological systems, e.g. polymers.
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This package contains only the core simulation engine with parallel
support using the default MPI interface on the chosen architecture. It is
suitable for nodes of a processing cluster, or for multiprocessor machines.
Source package
Published versions
- gromacs-mpi 2021.4-2 in amd64 (Proposed)
- gromacs-mpi 2021.4-2 in amd64 (Release)
- gromacs-mpi 2021.4-2 in arm64 (Proposed)
- gromacs-mpi 2021.4-2 in arm64 (Release)
- gromacs-mpi 2021.4-2 in armhf (Proposed)
- gromacs-mpi 2021.4-2 in armhf (Release)
- gromacs-mpi 2021.4-2 in ppc64el (Proposed)
- gromacs-mpi 2021.4-2 in ppc64el (Release)
- gromacs-mpi 2021.4-2 in riscv64 (Proposed)
- gromacs-mpi 2021.4-2 in riscv64 (Release)
- gromacs-mpi 2021.4-2 in s390x (Proposed)
- gromacs-mpi 2021.4-2 in s390x (Release)