[ Bron: gromacs ]
Pakket: gromacs-mpich (2020.6-2)
Verwijzigingen voor gromacs-mpich
Debian bronnen:
Het bronpakket gromacs downloaden:
- [gromacs_2020.6-2.dsc]
- [gromacs_2020.6.orig-regressiontests.tar.gz]
- [gromacs_2020.6.orig.tar.gz]
- [gromacs_2020.6-2.debian.tar.xz]
Beheerders:
Externe bronnen:
- Homepage [www.gromacs.org]
Vergelijkbare pakketten:
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.
Andere aan gromacs-mpich gerelateerde pakketten
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- dep: libc6 (>= 2.29)
- GNU C Bibliotheek: Gedeelde bibliotheken
Ook een virtueel pakket geboden door: 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 (>= 3.5)
- GCC support bibliotheek
-
- dep: libgomp1 (>= 4.9)
- GCC OpenMP (GOMP) support library
-
- dep: libhwloc15 (>= 2.4.1 dfsg)
- Hierarchical view of the machine - shared libs
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- dep: libmpich12 (>= 3.4.1)
- Shared libraries for MPICH
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- dep: libstdc 6 (>= 6)
- GNU Standard C Library v3
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- dep: mpich
- Implementation of the MPI Message Passing Interface standard
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- dep: neon-support
- prevent installation on processors without required instructions
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- dep: zlib1g (>= 1:1.2.0)
- compressiebibliotheek - programma's
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- rec: gromacs
- Molecular dynamics simulator, with building and analysis tools
-
- sug: gromacs-data
- GROMACS molecular dynamics sim, data and documentation