Difference between revisions of "GULP"
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Revision as of 00:46, 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
Citation
If you publish research that uses GULP you have to cite it as follows: WRITE_CITATION_HERE