Amber
From SNIC Documentation
Amber is a molecular dynamics program.
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 |
| Aurora | LUNARC | throughput/general purpose cluster resource |
| Lindgren | PDC | Cray XE6 capability cluster with 305 TFLOPS peak performance |
| Triolith | NSC | Capability cluster with 338 TFLOPS peak and 1:2 Infiniband fat-tree |
License
License: Requires license.
A fee is required to obtain a license for this software.
Experts
No experts have currently registered expertise on this specific subject. List of registered field experts:| Field | AE FTE | General activities | ||
|---|---|---|---|---|
| Johan Raber (NSC) | NSC | Computational chemistry | 5050 | |
| Pedro Ojeda-May (HPC2N) | HPC2N | Quantum Chemistry Molecular dynamics Machine learning |
Training, HPC, Quantum Chemistry, Molecular dynamics, R, advanced support | |
| Torben Rasmussen (NSC) | NSC | Computational chemistry | 100100 | Installation and support of computational chemistry software. |
