Paket: gromacs-mpi (2021.4-2)
Länkar för gromacs-mpi
Trisquelresurser:
Hämta källkodspaketet 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]
Ansvarig:
Original Maintainers:
- Debichem Team (E-postarkiv)
- Nicholas Breen
Externa resurser:
- Hemsida [www.gromacs.org]
Liknande paket:
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.
Andra paket besläktade med gromacs-mpi
|
|
|
-
- dep: libc6 (>= 2.34)
- GNU C Library: Shared libraries
också ett virtuellt paket som tillhandahålls av 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) [ej 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
- Molecular dynamics simulator, with building and analysis tools
-
- sug: gromacs-data
- GROMACS molecular dynamics sim, data and documentation
Hämta gromacs-mpi
| Arkitektur | Paketstorlek | Installerad storlek | Filer |
|---|---|---|---|
| amd64 | 7.071,1 kbyte | 17283 kbyte | [filförteckning] |
| arm64 | 6.348,9 kbyte | 13457 kbyte | [filförteckning] |
| armhf | 3.813,4 kbyte | 9007 kbyte | [filförteckning] |
| ppc64el | 5.218,7 kbyte | 13429 kbyte | [filförteckning] |