Difference between revisions of "GULP"

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* Validated 4/5/2018

Revision as of 17:49, 5 April 2018


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


  • intel
  • {{#lowercase:GULP}}


  • intel
  • openmpi
  • {{#lowercase:GULP}}

System Variables

  • HPC_{{#uppercase:GULP}}_DIR
  • HPC_{{#uppercase:GULP}}_BIN


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)


  • Validated 4/5/2018