Пакунок: gromacs-mpi (2021.4-2)
Links for gromacs-mpi
Trisquel Resources:
Download Source Package 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]
Maintainer:
Original Maintainers:
- Debichem Team (Mail Archive)
- Nicholas Breen
External Resources:
- Homepage [www.gromacs.org]
Similar packages:
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.
Інші пакунки пов'язані з gromacs-mpi
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- dep: libc6 (>= 2.34)
- GNU C Library: Shared libraries
also a virtual package provided by libc6-udeb
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- dep: libfftw3-double3 (>= 3.3.5)
- Library for computing Fast Fourier Transforms - Double precision
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- dep: libfftw3-single3 (>= 3.3.5)
- Library for computing Fast Fourier Transforms - Single precision
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- dep: libgcc-s1 (>= 3.3.1) [not armhf]
- 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 (>= 2.6.0)
- Hierarchical view of the machine - shared libs
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- dep: libopenmpi3 (>= 4.1.0)
- high performance message passing library -- shared library
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- dep: libstdc++6 (>= 11)
- GNU Standard C++ Library v3
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- dep: mpi-default-bin
- Standard MPI runtime programs (metapackage)
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- dep: sse4.2-support [amd64]
- 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
Завантажити gromacs-mpi
| Архітектура | Розмір пакунка | Розмір після встановлення | Файли |
|---|---|---|---|
| amd64 | 7,071.1 kB | 17283 kB | [список файлів] |
| arm64 | 6,348.9 kB | 13457 kB | [список файлів] |
| armhf | 3,813.4 kB | 9007 kB | [список файлів] |
| ppc64el | 5,218.7 kB | 13429 kB | [список файлів] |