Qbox home pageQbox 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.
DocumentationThe 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 toolsA set of tools is available for post-processing and visualization of Qbox output.
Qbox listA forum dedicated to questions regarding Qbox installation and use is available at http://fpmd.ucdavis.edu/qbox-list.
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 sourceDownload the source tar file, and read the build instructions.
Precompiled executablesDownload qbox-1.50.4-x86_64_fedora8_serial.tgz (6.1 MB). Fedora8 18.104.22.168-57.fc8 x86_64
Download qbox-1.50.2-x86_64_fedora8_serial.tgz (7.1 MB). Fedora8 22.214.171.124-57.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