HPC/Applications: Difference between revisions
< HPC
Jump to navigation
Jump to search
mNo edit summary |
mNo edit summary |
||
| Line 1,820: | Line 1,820: | ||
* '''4.2-1''' | * '''4.2-1''' | ||
:PWgui - a GUI for the PWscf subset of the Quantum ESPRESSO suite, supporting creation and editing of input files, and support for interactive runs of the PWscf programs. | :PWgui - a GUI for the PWscf subset of the Quantum ESPRESSO suite, supporting creation and editing of input files, and support for interactive runs of the PWscf programs. | ||
:The GUI can also use the XCRYSDEN program (http://www.xcrysden.org/) for the visualization of atomic structures from the pw.x input/output files, or for the visualization of properties calculated via the sequence: pw.x | :The GUI can also use the XCRYSDEN program (http://www.xcrysden.org/) for the visualization of atomic structures from the pw.x input/output files, or for the visualization of properties calculated via the sequence: pw.x−−>pp.x (when the property was saved into an XSF file). | ||
:The following PWscf programs are supported: | :The following PWscf programs are supported: | ||
:* pw.x | :* pw.x | ||
Revision as of 15:22, December 10, 2021
This is the catalog for HPC applications on Carbon. Applications are often referred to as modules because they are managed using the Environment Modules package.
You, the user, must select ("load") the modules that you wish to use, possibly down to a specific version. An exception to this are a handful of basic modules that are pre-loaded when you log in.
You can access this catalog on Carbon itself using the following commands to show all available modules, one-line summaries, and longer descriptions (usually with copyrights and links), respectively:
module avail [name] module whatis [name] module help name
- See also
- Module setup instructions
- The man page for the module command (
man module).