The CSF2 has been replaced by the CSF3 - please use that system! This documentation may be out of date.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.
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.