Qbox home page
Qbox is a C++/MPI scalable parallel implementation of first-principles molecular dynamics (FPMD) based on the plane-wave, pseudopotential formalism. Qbox is designed for operation on large parallel computers.Documentation
The Qbox User Guide describes the main features of the code. The design of Qbox is discussed in a recent architecture paper (IBM J. Res. Dev.The Qbox bugs database describes bugs found in Qbox.
Qbox tools
A set of tools is available for post-processing and visualization of Qbox output.Qbox list
A forum dedicated to questions regarding Qbox installation and use is available at http://fpmd.ucdavis.edu/qbox-list.Availability
New features, bug fixes and known bugs are described in the release notes. See also the "notes" file in the source directory of the distribution.
Building from source
Download the source tar file, and read the build instructions.Precompiled executables
Download qbox-1.50.4-x86_64_fedora8_serial.tgz (6.1 MB). Fedora8 2.6.26.8-57.fc8 x86_64Download qbox-1.50.2-x86_64_fedora8_serial.tgz (7.1 MB). Fedora8 2.6.26.8-57.fc8 x86_64
Download qbox-1.52.3-MacOSX.tgz (2.2 MB). MacOSX i386 Darwin Kernel Version 10.5.0
Download qbox-1.43.2-MacOSX.tgz (7.1 MB). MacOSX i386 Darwin Kernel Version 8.11.1