Jaguar

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Jaguar is a high-performance ab initio package for both gas and solution phase simulations.

Availability

ResourceCentreDescription
AkkaHPC2Ncapability cluster resource of 54 TFLOPS with infiniband interconnect
BedaC3SEthroughput cluster resource
GlennC3SEthroughput cluster resource

License

License: Requires license.

The software is commercial software

Experts

These experts have registered specific competence on this subject:

  FieldAE FTEGeneral activities
Torben Rasmussen (NSC)NSCComputational chemistry100Installation and support of computational chemistry software.

LINKS