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Home > VASP > Netcdf (Version 4.0) NCSA: SGI Altix > GAMESS (Version Mar 07) NCSA: Intel 64 Linux Cluster > GAMESS (Version Mar 07) NCSA: SGI Altix > SvPablo > hypre > NAMD (Version 2.6) NCSA: Intel 64 Linux Cluster > ABINIT > NWChem (Version 5.1) NCSA: Intel 64 Linux Cluster > LAPACK > WIEN2k (Version 2006) NCSA: IA-64 Linux Cluster > SuperLU > VProf - The Visual Profiler > vmd > CASTEP > ARPACK > FGSL (Version 0.7) NCSA: SGI Altix > NAMD > PETSc (Version 3.0.0-p5) NCSA: Intel 64 Linux Cluster > FFTW (Version 2.1.5 and 3.1.1) NCSA: SGI Altix > MKL - Math Kernel Library > FFTW (Version 2.1.5) NCSA: Intel 64 Linux Cluster > FFT (Version X) NCSA: Intel 64 Linux Cluster > ScaLAPACK (Version 1.8) NCSA: Intel 64 Linux Cluster > PETSc (Version 2.3.1-p12) NCSA: SGI Altix > MSC/Patran > NAMD (Version 2.6b1) NCSA: IA-64 Linux Cluster > MOLPRO (Version 2009.1) NCSA: SGI Altix > MSC/Nastran > MrBayes > DMol3 > IDL (Version 7.1) NCSA: Intel 64 Linux Cluster > BLACS (Version 1.1) NCSA: IA-64 Linux Cluster > PETSc (Version 2.3.3) NCSA: Intel 64 Linux Cluster > SPRNG (Version 2.0) NCSA: Intel 64 Linux Cluster > FFTW (Version 3.1.2) NCSA: Intel 64 Linux Cluster > GNU Scientific Library (GSL) (Version 1.9) NCSA: SGI Altix > LAPACK NCSA: SGI Altix > DMol (Version 4.4) NCSA: SGI Altix > MKL - Math Kernel Library (Version 7.2, 8, 9) NCSA: IA-64 Linux Cluster > MSC.Marc > WIEN2k > NWChem (Version 5.1) NCSA: IA-64 Linux Cluster > FFTW > ABINIT (Version 5.4.3) NCSA: SGI Altix > GOTO (Version 0.94) NCSA: SGI Altix > Tecplot > ADF > GOTO > GAMESS > SuperLU (Version 3.0) NCSA: Intel 64 Linux Cluster > ScaLAPACK (Version 1.8) NCSA: SGI Altix > DL_POLY NCSA: SGI Altix > GNU Scientific Library (GSL) (Version 1.10) NCSA: Intel 64 Linux Cluster > ATLAS > VASP (Version 4.6) NCSA: IA-64 Linux Cluster > PAPI > TotalView > NCAR Graphics (Version 5.1.0) NCSA: Intel 64 Linux Cluster > FIDAP > MKL - Math Kernel Library (Version 10.0) NCSA: SGI Altix > PARPACK > PETSc > SPRNG > CASTEP (Version 4.4) NCSA: SGI Altix > IDL > MPE2 > Metis and ParMetis > Metis and ParMetis (Version 4.0) NCSA: SGI Altix > Abaqus > hypre (Version 2.0) NCSA: Xeon Linux Cluster > GNU Scientific Library (GSL) (Version 1.6) NCSA: SGI Altix > BLACS (Version 1.1) NCSA: Intel 64 Linux Cluster > Netcdf > vmd (Version 1.8.6) NCSA: Intel 64 Linux Cluster > ScaLAPACK (Version 1.7) NCSA: Intel 64 Linux Cluster > Gromacs (Version 3.11.1) NCSA: Intel 64 Linux Cluster
INSTALLED SOFTWARE DESCRIPTION

Gromacs

General Information

Short Description: Molecular dynamics simulations

Long Description:
GROMACS is a versatile package to perform molecular dynamics for systems with hundreds to millions of particles. GROMACS is primarily designed for biochemical molecules like proteins and lipids, but it can also be used for research on non-biological systems, e.g. polymers

Category: Applications - Scientific and Engineering: Chemical Engineering
Applications - Scientific and Engineering: Computational Chemistry

Vendor/Developer: Herman Berendsens group, department of Biophysical Chemistry of Groningen University

Vendor Website: http://www.gromacs.org/

Software Website: http://www.gromacs.org/documentation/index.php

Programming Language:

Terms of Use:

Installation Information

Version: 3.11.1      Version Date: 0000-00-00

Installed Site: National Center for Supercomputing Applications

Installed Platform: Intel 64 Linux Cluster

Point of Contact: Sudhakar Pamidighantam

Installation Status: Complete

Installation Date: 2008-07-02

Usage Information

Usage URL:

Usage Information:

User Guide Homepage:

License Information

Number of Licenses:

User Fee:

Type of License: N/A

Type of Installation: Available to all allocated users

Distribution Information:

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