| ARCHIE Project title: | 500 |
| Project PI: | James Weir Building 75 Montrose Street |
| Department: | 1 October 2018 |
| Address: | James Weir Building, 75 Montrose Street, open-source software, G1 1XJ |
| Relevant industrial collaborations: | |
| Existing relevant KTP activities: | |
| Does the PI require to run calculations? | 1 |
| Number of users involved in the project: | 12 months |
| User 1 details: |
Neret Navarro-Pujol, neret.navarro-pujol@strath.ac.uk, PhD student at Strathclyde |
| Service level requested: | |
| ARCHIE Project description: | 500 |
| Potential output of the project: |
The PhD project will yield publications, and possible new IP in collaboration with a local SME. |
| Project start date: | 1 October 2018 |
| Duration of the project: | 12 months |
| Total CPU time required (in hours): | 500,000 |
| CPU hours required by typical job: | 1 |
| Approximate amount of data created per job (in GB): | |
| Approximate amount of data created per project: | 500 |
| Funding Agency Grant Reference No: | BB/S507118/1 |
| pFact ID: | 19261 |
| RKES ID: | 171626 |
| Software required for the project: | open-source software |
| Software required to be installed for the project: | NAMD |
| Experience in using software package 1: | |
| Software required to be installed for the project: | |
| Experience in using software package 2: | 1 |
| Software required to be installed for the project: | |
| Experience in using software package 3: | 1 |
| Training required: | Basic Linux, Basic of using HPC, Molecular Dynamics calculations in NAMD, Visualisation in VMD |
| Other training required: | |
| Experience in using HPC: | 1 |