nwchem-openmpi - Nwchem - openmpi version

Property Value
Distribution CentOS 6
Repository EPEL x86_64
Package name nwchem-openmpi
Package version 6.6.27746
Package release 22.el6
Package architecture x86_64
Package type rpm
Installed size 93.16 MB
Download size 14.92 MB
Official Mirror dl.fedoraproject.org
NWChem aims to provide its users with computational chemistry tools that are
scalable both in their ability to treat large scientific computational
chemistry problems efficiently, and in their use of available parallel
computing resources from high-performance parallel supercomputers to
conventional workstation clusters.
Please cite the following reference when
publishing results obtained with NWChem:
M. Valiev, E.J. Bylaska, N. Govind, K. Kowalski, T.P. Straatsma,
H.J.J. van Dam, D. Wang, J. Nieplocha, E. Apra, T.L. Windus, W.A. de Jong,
"NWChem: a comprehensive and scalable open-source solution for
large scale molecular simulations" Comput. Phys. Commun. 181, 1477 (2010)
This package contains the openmpi version.


Package Version Architecture Repository
nwchem-openmpi-6.6.27746-22.el6.i686.rpm 6.6.27746 i686 EPEL
nwchem-openmpi - - -


Name Value
libarmci.so.0()(64bit) -
libc.so.6(GLIBC_2.7)(64bit) -
libdl.so.2()(64bit) -
libga.so.0()(64bit) -
libgcc_s.so.1()(64bit) -
libgfortran.so.3()(64bit) -
libgfortran.so.3(GFORTRAN_1.0)(64bit) -
libm.so.6()(64bit) -
libm.so.6(GLIBC_2.2.5)(64bit) -
libmpi.so.1()(64bit) -
libmpi_mpifh.so.2()(64bit) -
libmpi_usempi.so.1()(64bit) -
libopenblas.so.0()(64bit) -
libpthread.so.0()(64bit) -
libpthread.so.0(GLIBC_2.2.5)(64bit) -
libpython2.6.so.1.0()(64bit) -
libutil.so.1()(64bit) -
nwchem-common = 6.6.27746-22.el6
rtld(GNU_HASH) -


Name Value
nwchem-openmpi = 6.6.27746-22.el6
nwchem-openmpi(x86-64) = 6.6.27746-22.el6


Type URL
Binary Package nwchem-openmpi-6.6.27746-22.el6.x86_64.rpm
Source Package nwchem-6.6.27746-22.el6.src.rpm

Install Howto

  1. Download the latest epel-release rpm from
  2. Install epel-release rpm:
    # rpm -Uvh epel-release*rpm
  3. Install nwchem-openmpi rpm package:
    # yum install nwchem-openmpi




See nwchem-6.6.27746-22.el6.x86_64.rpm changelog.

See Also

Package Description
nwipe-0.21-3.el6.x86_64.rpm Securely erase disks using a variety of recognized methods
nx-libs- NX X11 protocol compression libraries
nx-libs- NX X11 protocol compression libraries
nx-libs-devel- Include files and libraries for NX development
nx-libs-devel- Include files and libraries for NX development
nx-proto-devel- Include files for NX development
nx-proto-devel- Include files for NX development
nxagent- NX agent
nxauth- NX Auth
nxproxy- NX Proxy
oathtool-2.0.2-5.el6.x86_64.rpm A command line tool for generating and validating OTPs
obby-0.4.7-3.el6.i686.rpm A library which provides synced document buffers
obby-0.4.7-3.el6.x86_64.rpm A library which provides synced document buffers
obby-devel-0.4.7-3.el6.i686.rpm Development libraries for obby
obby-devel-0.4.7-3.el6.x86_64.rpm Development libraries for obby