qbox/1.63.5+intelmpi-5.1+intel-16.0¶
- name
- qbox
- version
- 1.63.5. compiled with intelmpi/5.1+intel-16.0
- description
- scalable parallel implementation of first-principles molecular dynamics (FPMD) based on the plane-wave, pseudopotential formalism
- url
- http://eslab.ucdavis.edu/software/qbox/index.htm
- built
- Sat Nov 5 16:08:51 CDT 2016
- dependencies
- intelmpi/5.1+intel-16.0, mkl/2017, fftw3/3.3.5+intelmpi-5.1+intel-16.0, xerces/3.1.4
- tags
- molecular dynamics
- usage
- Use the module system to load this version of qbox:
module load midway1; module load qbox/1.63.5+intelmpi-5.1+intel-16.0
See also
- qbox/1.60+intelmpi-5.0+intel-15.0, qbox/1.63.5+intelmpi-5.1+intel-16.0 (default)
- All versions available for qbox.
- Modules
- Full list of software modules available on Midway.
- Software Modules Tutorial
- A tutorial on Midway modules and how to use them.