The Vienna Ab initio Simulation Package (VASP) is a program for performing electronic structure calculation. It is commonly used in the physics and materials science communities.
These experts have registered specific competence on this subject:
|Field||AE FTE||General activities|
|Diana Iusan (UPPMAX)||UPPMAX||Computational materials science|
|50||Compilation, performance optimization, and best practice usage of electronic structure codes.|
|Weine Olovsson (NSC)||NSC||Computational materials science||90||Application support, installation and help|
|Abisko||HPC2N||capability resource of 153 TFLOPS with full bisectional infiniband interconnect|
|Akka||HPC2N||capability cluster resource of 54 TFLOPS with infiniband interconnect|
|Beda||C3SE||throughput cluster resource|
|Kappa||NSC||throughput cluster resource of 26 TFLOPS|
|Lindgren||PDC||Cray XE6 capability cluster with 305 TFLOPS peak performance|
|Matter||NSC||cluster resource of 37 TFLOPS dedicated to materials science|
|Triolith||NSC||Capability cluster with 338 TFLOPS peak and 1:2 Infiniband fat-tree|
License: Requires license.
VASP is not a "free" software. A valid VASP license is required to be allowed to use it, even for centre provided installations.
- Main web page. News about bug fixes and general information about VASP.
- VASP online manual. Find out what all those INCAR keyword means, what their default values are, etc.
- The VASP forum. For discussing "tricks of the VASP-trade", which knobs to turn, why results look strange, etc. To be able to post questions, you have to be registered and you need a VASP license.
- Instructions for using VASP at PDC