Paquet : gromacs-mpi (2021.4-2)
Liens pour gromacs-mpi
Ressources Trisquel :
Télécharger le paquet source gromacs :
- [gromacs_2021.4-2.dsc]
- [gromacs_2021.4.orig-regressiontests.tar.gz]
- [gromacs_2021.4.orig.tar.gz]
- [gromacs_2021.4-2.debian.tar.xz]
Responsable :
Original Maintainers:
- Debichem Team (Archive du courrier électronique)
- Nicholas Breen
Ressources externes :
- Page d'accueil [www.gromacs.org]
Paquets similaires :
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.
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 default MPI interface on the chosen architecture. It is suitable for nodes of a processing cluster, or for multiprocessor machines.
Autres paquets associés à gromacs-mpi
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- dep: libc6 (>= 2.34)
- GNU C Library: Shared libraries
un paquet virtuel est également fourni par libc6-udeb
-
- dep: libfftw3-double3 (>= 3.3.5)
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- dep: libfftw3-single3 (>= 3.3.5)
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- dep: libgcc-s1 (>= 3.3.1) [non armhf]
- GCC support library
- dep: libgcc-s1 (>= 3.5) [armhf]
-
- dep: libgomp1 (>= 4.9)
- GCC OpenMP (GOMP) support library
-
- dep: libhwloc15 (>= 2.6.0)
- Hierarchical view of the machine - shared libs
-
- dep: libopenmpi3 (>= 4.1.0)
- high performance message passing library -- shared library
-
- dep: libstdc++6 (>= 11)
- GNU Standard C++ Library v3
-
- dep: mpi-default-bin
- Standard MPI runtime programs (metapackage)
-
- dep: sse4.2-support [amd64]
- prevent installation on processors without required instructions
-
- dep: zlib1g (>= 1:1.2.0)
- compression library - runtime
-
- rec: gromacs
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- sug: gromacs-data
- GROMACS molecular dynamics sim, data and documentation
Télécharger gromacs-mpi
| Architecture | Taille du paquet | Espace occupé une fois installé | Fichiers |
|---|---|---|---|
| amd64 | 7 071,1 ko | 17283 ko | [liste des fichiers] |
| arm64 | 6 348,9 ko | 13457 ko | [liste des fichiers] |
| armhf | 3 813,4 ko | 9007 ko | [liste des fichiers] |
| ppc64el | 5 218,7 ko | 13429 ko | [liste des fichiers] |