| ARCHIE Project title: | 100GB |
| Project PI: | 75 Montrose Street |
| Department: | 26/11/14 |
| Address: | 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: | 3 months |
| User 1 details: |
I (Karen Johnston) already have an ARCHIE account so not sure if I need to register again. |
| User 2 details: |
Francesco Pelizza |
| Service level requested: | |
| ARCHIE Project description: | 100GB |
| Potential output of the project: |
Initial use of project is for MD training course. Next year I will apply for time on ARCHIE for production calculations. |
| Project start date: | 26/11/14 |
| Duration of the project: | 3 months |
| Total CPU time required (in hours): | 100 |
| CPU hours required by typical job: | 1 |
| Approximate amount of data created per job (in GB): | |
| Approximate amount of data created per project: | 100GB |
| 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: | Gromacs/NAMD? for MD training, quantum-espresso (later) |
| 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 of using HPC, Visualisation in VMD, Quantum calculations |
| Other training required: | |
| Experience in using HPC: | 1 |