VASP

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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.

Contents

Availability

Resource Centre Description
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

In general, VASP can be built from the unmodified source code using Intel's Fortran compiler (for x86-64) or IBM's XL Fortran compiler (for PPC). Use of other compilers may require modification of the source code.

License

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. Access to the VASP source code is included in the license.

Experts

These experts have registered specific competence on this subject:
Field AE FTE General activities
Diana Iusan (UPPMAX) UPPMAX 5050
Weine Olovsson (NSC) NSC Computational materials science 9090 Application support, installation and help

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