[ aramo ]
[ ソース: gromacs ]
パッケージ: gromacs-mpi (2021.4-2)
gromacs-mpi に関するリンク
Trisquel の資源:
gromacs ソースパッケージをダウンロード:
- [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]
メンテナ:
Original Maintainers:
- Debichem Team (メールアーカイブ)
- Nicholas Breen
外部の資源:
- ホームページ [www.gromacs.org]
類似のパッケージ:
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.
その他の gromacs-mpi 関連パッケージ
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- dep: libc6 (>= 2.34)
- GNU C Library: Shared libraries
以下のパッケージによって提供される仮想パッケージでもあります: 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 (>= 3.3.1) [armhf 以外]
- 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
- Molecular dynamics simulator, with building and analysis tools
-
- sug: gromacs-data
- GROMACS molecular dynamics sim, data and documentation