Difference between revisions of "Jaguar"
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|description=ab initio quantum mechanics | |description=ab initio quantum mechanics | ||
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Jaguar is a high-performance ab initio package for both gas and solution phase simulations. | Jaguar is a high-performance ab initio package for both gas and solution phase simulations. | ||
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The software is commercial software | The software is commercial software | ||
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== LINKS == | == LINKS == | ||
* [http://www.schrodinger.com/products/14/7/ Official homepage] | * [http://www.schrodinger.com/products/14/7/ Official homepage] | ||
Latest revision as of 12:30, 12 September 2011
Jaguar is a high-performance ab initio package for both gas and solution phase simulations.
Contents
Availability
| Resource | Centre | Description |
|---|---|---|
| Akka | HPC2N | capability cluster resource of 54 TFLOPS with infiniband interconnect |
| Beda | C3SE | throughput cluster resource |
| Glenn | C3SE | throughput cluster resource |
License
License: Requires license.
The software is commercial software
Experts
These experts have registered specific competence on this subject:
| Field | AE FTE | General activities | ||
|---|---|---|---|---|
| Torben Rasmussen (NSC) | NSC | Computational chemistry | 100 | Installation and support of computational chemistry software. |
