Paketti: gromacs-mpich (2020.1-1)
Links for gromacs-mpich
Trisquel-palvelut:
Imuroi lähdekoodipaketti gromacs:
Ylläpitäjä:
Original Maintainers:
- Debichem Team (Mail Archive)
- Nicholas Breen
External Resources:
- Kotisivu [www.gromacs.org]
Samankaltaisia paketteja:
Molecular dynamics sim, binaries for MPICH 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.
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.
This package contains only the core simulation engine with parallel support using the MPICH (v3) interface. It is suitable for nodes of a processing cluster, or for multiprocessor machines.
Muut pakettiin gromacs-mpich liittyvät paketit
|
|
|
-
- dep: libc6 (>= 2.29)
- GNU C Library: Shared libraries
myös näennäispaketti, jonka toteuttaa libc6-udeb
-
- dep: libfftw3-double3 (>= 3.3.5)
- Library for computing Fast Fourier Transforms - Double precision
-
- dep: libfftw3-single3 (>= 3.3.5)
- Library for computing Fast Fourier Transforms - Single precision
-
- dep: libgcc-s1 (>= 3.0) [amd64]
- GCC support library
- dep: libgcc-s1 (>= 3.5) [armhf]
-
- dep: libgomp1 (>= 4.9)
- GCC OpenMP (GOMP) support library
-
- dep: libhwloc15 (>= 2.1.0+dfsg)
- Hierarchical view of the machine - shared libs
-
- dep: libmpich12 (>= 3.3.2)
- Shared libraries for MPICH
-
- dep: libstdc++6 (>= 5.2) [amd64]
- GNU Standard C++ Library v3
- dep: libstdc++6 (>= 6) [armhf]
-
- dep: mpich
- Implementation of the MPI Message Passing Interface standard
-
- dep: neon-support [armhf]
- prevent installation on processors without required instructions
-
- dep: zlib1g (>= 1:1.2.0)
- compression library - runtime
-
- rec: gromacs
- Molecular dynamics simulator, with building and analysis tools
-
- sug: gromacs-data
- GROMACS molecular dynamics sim, data and documentation
Imuroi gromacs-mpich
Arkkitehtuuri | Paketin koko | Koko asennettuna | Tiedostot |
---|---|---|---|
amd64 | 6,660.9 kt | 18106 kt | [tiedostoluettelo] |
armhf | 3,235.1 kt | 8734 kt | [tiedostoluettelo] |