GULP

Description

GULP website  

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:

• GULP - a computer program for the symmetry adapted simulation of solids, J.D. Gale, JCS Faraday Trans., 93, 629 (1997)
• Empirical potential derivation for ionic materials, J.D. Gale, Phil. Mag. B, 73, 3, (1996)
• The General Utility Lattice Program, J.D. Gale and A.L. Rohl, Mol. Simul., 29, 291-341 (2003)
• GULP: Capabilities and prospects, J.D. Gale, Z. Krist., 220, 552-554 (2005)