| ARCHIE Project title: | 1TB |
| Project PI: | Thomas Graham Building 295 Cathedral Street |
| Department: | 17th April 2014 |
| Address: | Thomas Graham Building, 295 Cathedral Street, open-source software, G1 1XL |
| Relevant industrial collaborations: | |
| Existing relevant KTP activities: | |
| Does the PI require to run calculations? | 9 |
| Number of users involved in the project: | 1 year |
| User 1 details: |
Mr Maksim Misin, maksim.misin@strath.ac.uk, University of Strathclyde, +44 (0) 141 548 4217, PhD student |
| Service level requested: | |
| ARCHIE Project description: | 1TB |
| Potential output of the project: |
Papers in chemical journals (e.g. J. Chem. Theory Comput., J. Comput. Chem., J. Chem. Phys.). |
| Project start date: | 17th April 2014 |
| Duration of the project: | 1 year |
| Total CPU time required (in hours): | 100,000 |
| CPU hours required by typical job: | 9 |
| Approximate amount of data created per job (in GB): | |
| Approximate amount of data created per project: | 1TB |
| Funding Agency Grant Reference No: | |
| pFact ID: | |
| RKES ID: | |
| Software required for the project: | open-source software |
| Software required to be installed for the project: | AmberTools14 (http://ambermd.org/) |
| Experience in using software package 1: | |
| Software required to be installed for the project: | |
| Experience in using software package 2: | 9 |
| Software required to be installed for the project: | |
| Experience in using software package 3: | 1 |
| Training required: | |
| Other training required: | |
| Experience in using HPC: | 9 |