General Information

Version: 1.62.3

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.

How to use it:

To send qbox jobs to the queue we have created the send_qbox utility_

send_qbox  JOBNAME NODES PROCS_PER_NODE[property] TIME

Executing send_box [Enter] more options will be shown. The program is installed in /software/qbox

More Information

On the Qbox Web page.