Test suite for VASP

From SNIC Documentation
Revision as of 09:45, 13 March 2012 by Joel Hedlund (NSC) (talk | contribs)
(diff) ← Older revision | Latest revision (diff) | Newer revision → (diff)
Jump to: navigation, search
Name Test suite for VASP
Description Test suite for VASP
Project financing   SNIC
Is active yes
Start date 2011-05-01
End date

VASP is popular software for electronic structure theory calculations. The VASP program is a major workload component (up to 50%) on many SNIC resources. Unfortunately, the VASP program does not come with its own test suite to validate the compilation and installation. This projects intends to develop a high-level test suite for VASP. It currently consists of 17 VASP calculations -- many of which have triggered bugs or problem in previous installations. For more info, head over to the VASP test page at NSC.


Peter Larsson (PDC)NSCApplication expertComputational materials science