Difference between revisions of "GULP"
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| + | [[Category:Software]] | ||
| + | {|<!--CONFIGURATION: REQUIRED--> | ||
| + | |{{#vardefine:app|GULP}} | ||
| + | |{{#vardefine:url|http://projects.ivec.org/gulp/}} | ||
| + | <!--CONFIGURATION: OPTIONAL (|1}} means it's ON)--> | ||
| + | |{{#vardefine:conf|}} <!--CONFIGURATION--> | ||
| + | |{{#vardefine:exe|}} <!--ADDITIONAL INFO--> | ||
| + | |{{#vardefine:pbs|}} <!--PBS SCRIPTS--> | ||
| + | |{{#vardefine:policy|}} <!--POLICY--> | ||
| + | |{{#vardefine:testing|}} <!--PROFILING--> | ||
| + | |{{#vardefine:faq|}} <!--FAQ--> | ||
| + | |{{#vardefine:citation|}} <!--CITATION--> | ||
| + | |{{#vardefine:installation|}} <!--INSTALLATION--> | ||
| + | |} | ||
| + | <!--BODY--> | ||
| + | <!--Description--> | ||
| + | {{#if: {{#var: url}}| | ||
| + | {{App_Description|app={{#var:app}}|url={{#var:url}}|name={{#var:app}}}}|}} | ||
| + | GULP is a program for performing a variety of types of simulation on materials using boundary conditions of 0-D (molecules and clusters), 1-D (polymers), 2-D (surfaces, slabs and grain boundaries), or 3-D (periodic solids). | ||
| + | <!--Modules--> | ||
| + | ==Required Modules== | ||
| + | ===Serial=== | ||
| + | * intel | ||
| + | * {{#lowercase:{{#var:app}}}} | ||
| + | |||
| + | ===Parallel=== | ||
| + | * intel | ||
| + | * openmpi | ||
| + | * {{#lowercase:{{#var:app}}}} | ||
| + | |||
| + | ==System Variables== | ||
| + | * HPC_{{#uppercase:{{#var:app}}}}_DIR | ||
| + | * HPC_{{#uppercase:{{#var:app}}}}_BIN | ||
| + | <!--Configuration--> | ||
| + | {{#if: {{#var: conf}}|==Configuration== | ||
| + | See the [[{{PAGENAME}}_Configuration]] page for {{#var: app}} configuration details. | ||
| + | |}} | ||
| + | <!--Run--> | ||
| + | {{#if: {{#var: exe}}|==Additional Information== | ||
| + | WRITE_ADDITIONAL_INSTRUCTIONS_ON_RUNNING_THE_SOFTWARE_IF_NECESSARY | ||
| + | |}} | ||
| + | <!--PBS scripts--> | ||
| + | {{#if: {{#var: pbs}}|==PBS Script Examples== | ||
| + | See the [[{{PAGENAME}}_PBS]] page for {{#var: app}} PBS script examples. | ||
| + | |}} | ||
| + | <!--Policy--> | ||
| + | {{#if: {{#var: policy}}|==Usage Policy== | ||
| + | WRITE USAGE POLICY HERE (Licensing, usage, access). | ||
| + | |}} | ||
| + | <!--Performance--> | ||
| + | {{#if: {{#var: testing}}|==Performance== | ||
| + | WRITE_PERFORMANCE_TESTING_RESULTS_HERE | ||
| + | |}} | ||
| + | <!--Faq--> | ||
| + | {{#if: {{#var: faq}}|==FAQ== | ||
| + | *'''Q:''' **'''A:'''|}} | ||
| + | <!--Citation--> | ||
| + | {{#if: {{#var: citation}}|==Citation== | ||
| + | If you publish research that uses {{#var:app}} you have to cite it as follows: | ||
| + | WRITE_CITATION_HERE | ||
| + | |}} | ||
| + | <!--Installation--> | ||
| + | {{#if: {{#var: installation}}|==Installation== | ||
| + | See the [[{{PAGENAME}}_Install]] page for {{#var: app}} installation notes.|}} | ||
| + | <!--Turn the Table of Contents and Edit paragraph links ON/OFF--> | ||
| + | __NOTOC____NOEDITSECTION__ | ||
Revision as of 00:45, 6 May 2013
Description
GULP is a program for performing a variety of types of simulation on materials using boundary conditions of 0-D (molecules and clusters), 1-D (polymers), 2-D (surfaces, slabs and grain boundaries), or 3-D (periodic solids).
Required Modules
Serial
- intel
- {{#lowercase:GULP}}
Parallel
- intel
- openmpi
- {{#lowercase:GULP}}
System Variables
- HPC_{{#uppercase:GULP}}_DIR
- HPC_{{#uppercase:GULP}}_BIN