Difference between revisions of "DL POLY"
Jump to navigation
Jump to search
| (3 intermediate revisions by 2 users not shown) | |||
| Line 1: | Line 1: | ||
| − | [[Category:Software]] | + | [[Category:Software]][[Category:Molecular Dynamics]] |
{|<!--CONFIGURATION: REQUIRED--> | {|<!--CONFIGURATION: REQUIRED--> | ||
|{{#vardefine:app|dlpoly}} | |{{#vardefine:app|dlpoly}} | ||
| Line 22: | Line 22: | ||
<!--Modules--> | <!--Modules--> | ||
| − | == | + | ==Environment Modules== |
| − | + | Run <code>module spider {{#var:app}}</code> to find out what environment modules are available for this application. | |
| − | |||
| − | |||
| − | |||
| − | |||
| − | |||
==System Variables== | ==System Variables== | ||
| − | * HPC_{{ | + | * HPC_{{uc:{{#var:app}}}}_DIR - installation directory |
| − | * HPC_{{ | + | * HPC_{{uc:{{#var:app}}}}_BIN - executable directory |
| − | * HPC_{{ | + | * HPC_{{uc:{{#var:app}}}}_LIB - library directory |
<!--Run--> | <!--Run--> | ||
{{#if: {{#var: exe}}|==How To Run== | {{#if: {{#var: exe}}|==How To Run== | ||
Latest revision as of 17:00, 6 June 2022
Description
dlpoly website
DL_POLY is a general purpose classical molecular dynamics (MD) simulation software developed at Daresbury Laboratory by I.T. Todorov and W. Smith.
DL_POLY Classic is transformed from DL_POLY2 and available as open source under the BSD at CCPForge.
Environment Modules
Run module spider dlpoly to find out what environment modules are available for this application.
System Variables
- HPC_DLPOLY_DIR - installation directory
- HPC_DLPOLY_BIN - executable directory
- HPC_DLPOLY_LIB - library directory