Filewatcher File Search File Search
Catalog
Content Search
» » » » »

gromacs-openmpi

Molecular dynamics sim, binaries for OpenMPI parallelization

Variants:
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 OpenMPI interface. It is suitable for nodes of a processing cluster, or for multiprocessor machines.

Homepage:
Package version:4.0.7-3
Architecture:i386
Distribution:Debian
Filename:gromacs-openmpi_4.0.7-3_i386.deb

/usr/share/doc/gromacs-openmpi/README.Debian

gromacs with OpenMPI support for Debian
-----------------------------------------------------------------------

This package contains the MPI-enabled version of the GROMACS molecular
dynamics engine, compiled for use with OpenMPI.  The binary is named
"mdrun_mpi.openmpi", though it is aliased to "mdrun_mpi".  For non-MPI
applications, use the single-threaded "mdrun" in the gromacs package.

Versi
more»

/usr/share/man/man1/mdrun_mpi.openmpi.1.gz

mdrun_mpi(1)         GROMACS suite, Version 4.0         mdrun_mpi(1)



NAME
       mdrun_mpi  -  performs  a  GROMACS simulation across multiple
       CPUs or systems VERSION 4.0_rc1

SYNOPSIS
       mdrun_mpi -s topol.tpr -o traj.trr -x traj.xtc -cpi state.cpt
       -cpo  state.cpt  -c  confout.gro  -e ener.edr -g md.log -dgdl
       dgdl.xvg -field field.xvg -table table.xvg -tablep tablep.xv
more»

/usr/share/doc/gromacs-openmpi/changelog.Debian.gz

gromacs (4.0.7-3) unstable; urgency=low

  * New patch 03_autoconf_bashisms.dpatch: Eliminate two bashisms (test ==
    instead of =) in configure.ac, permitting use with dash instead.
  * patches/30_git_release-4.0-patches.dpatch: Update to commit
    36df279783944c11d1ba43936ea820f8e6003ffd.

 -- Nicholas Breen <nbreen@ofb.net>  Tue, 25 May 2010 19:30:48 -0700

gromacs (4.0.7-2) unstable; urgenc
more»

/usr/share/doc/gromacs-openmpi/copyright

This Debian-packaged version of GROMACS was assembled by Nicholas Breen
<nbreen@ofb.net> from the or
more»

Browse inside gromacs-openmpi_4.0.7-3_i386.deb

         [DIR]DEBIAN/ (6)  65535+ mirrors
         [DIR]usr/ (3)  65535+ mirrors

Download gromacs-openmpi_4.0.7-3_i386.deb

Results 1 - 1 of 1
Help - FTP Sites List - Software Dir.
Search over 15 billion files
© 1997-2016 FileWatcher.com