espresso/6.4-elpa-2017.11+intelmpi-2018.2.199+intel-18.0¶
- name
- Quantum ESPRESSO
- version
- 6.4-elpa-2017. compiled with intelmpi/2018.2.199+intel-18.0
- description
- Suite of codes for electronic-structure calculations and nanoscale materials modeling
- url
- http://www.quantum-espresso.org/
- license
- opensource
- built
- Mon Oct 28 11:57:50 CDT 2019
- dependencies
- elpa/2017.11.001+intelmpi-2018.2.199+intel-18.0, mkl/2018.up2
- tags
- chemistry, materials, molecular dynamics
- usage
- Use the module system to load this version of espresso:
module load midway2; module load espresso/6.4-elpa-2017.11+intelmpi-2018.2.199+intel-18.0
See also
- espresso/6.0+intelmpi-5.1+intel-16.0 (default), espresso/6.0-west-2.0+intelmpi-5.1+intel-16.0, espresso/6.1+intelmpi-5.1+intel-16.0, espresso/6.1-west-3.1.0+intelmpi-2017.up4+intel-17.0, espresso/6.1-west-3.1.0+intelmpi-2018.2.199+intel-18.0, espresso/6.2.1+intelmpi-2018.2.199+intel-18.0, espresso/6.4+intelmpi-2018.2.199+intel-18.0, espresso/6.4-elpa-2017.11+intelmpi-2018.2.199+intel-18.0, espresso/6.4-environ-1.1+intelmpi-2018.2.199+intel-18.0, espresso/6.6+intelmpi-2018.2.199+intel-18.0
- All versions available for espresso.
- Software Modules
- Full list of software modules available on Midway.
- Software Modules Tutorial
- A tutorial on Midway modules and how to use them.