| The CSF2 has been replaced by the CSF3 - please use that system! This documentation may be out of date. Please read the CSF3 documentation instead. To display this old CSF2 page click here. |
VASP
Overview
The Vienna Ab initio Simulation Package (VASP) is a computer program for atomic scale materials modelling, e.g. electronic structure calculations and quantum-mechanical molecular dynamics, from first principles.
Version 5.4.4 – compiled with Intel compilers 14.0.3 and openmpi 1.8.3
Version 5.4.1 – compiled with Intel compilers 14.0.3 and openmpi 1.6
Versions 5.3.5 – compiled with Intel compilers 14.0.3 and openmpi 1.6 (using -O2 -axAVX -msse4.2). This installation will not work on the AMD nodes (as a result of some of the settings used when openmpi was compiled)
Restrictions on use
- Only users from a Research Group that have purchased a license for VASP may use the software.
- The software cannot be accessed unless you are added to the
vasp53unix group. - All access must be authorised by the license holder.
- All users must be registered against the correct license with the VASP code developers in Vienna. Maximum 6 users per license.
- Use of VASP is “exclusively for non-profit research”. It is not to be “used in contractual research in co-operation with or for industry or for military insitutions.”
- Visitors and collaborators from other organisations are not permitted to access the software.
Version specific information
Version 5.4.1 & 5.4.4
Please see the VASP 5.4.1 & 5.4.4 CSF documentation.
Version 5.3.5
Please see the VASP 5.3.5 CSF documentation.