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[ Pakiet źródłowy: gromacs ]
Pakiet: gromacs-mpich (2020.1-1)
Odnośniki dla gromacs-mpich
Zasoby systemu Trisquel:
- Install using apturl
- Entry at directory.fsf.org
- Raporty o błędach
- Changelog
- Informacje nt. praw autorskich
Pobieranie pakietu źródłowego gromacs:
Opiekun:
Original Maintainers:
- Debichem Team (Archiwum e-mail)
- Nicholas Breen
Zasoby zewnętrzne:
- Strona internetowa [www.gromacs.org]
Podobne pakiety:
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.
Inne pakiety związane z gromacs-mpich
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- dep: libc6 (>= 2.29)
- GNU C Library: Shared libraries
również pakiet wirtualny udostępniany przez 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]
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- dep: libgomp1 (>= 4.9)
- GCC OpenMP (GOMP) support library
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- dep: libhwloc15 (>= 2.1.0+dfsg)
- Hierarchical view of the machine - shared libs
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- dep: libmpich12 (>= 3.3.2)
- Shared libraries for MPICH
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- dep: libstdc++6 (>= 5.2) [amd64]
- GNU Standard C++ Library v3
- dep: libstdc++6 (>= 6) [armhf]
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- dep: mpich
- Implementation of the MPI Message Passing Interface standard
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- dep: neon-support [armhf]
- prevent installation on processors without required instructions
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- dep: zlib1g (>= 1:1.2.0)
- compression library - runtime
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- rec: gromacs
- Molecular dynamics simulator, with building and analysis tools
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- sug: gromacs-data
- GROMACS molecular dynamics sim, data and documentation
Pobieranie gromacs-mpich
| Architektura | Rozmiar pakietu | Rozmiar po instalacji | Pliki |
|---|---|---|---|
| amd64 | 6 660,9 KiB | 18106 KiB | [lista plików] |
| armhf | 3 235,1 KiB | 8734 KiB | [lista plików] |