| ARCHIE Project title: | 50 GB based on 1000 calculations |
| Project PI: | Thomas Graham Building 295 Cathedral Street |
| Department: | 01/07/2015 |
| Address: | Thomas Graham Building, 295 Cathedral Street, licensed software, G11XL |
| Relevant industrial collaborations: | GSK |
| Existing relevant KTP activities: | |
| Does the PI require to run calculations? | 1 |
| Number of users involved in the project: | 3 years |
| User 1 details: |
Myself, as indicated above |
| Service level requested: | I know enough LIMUX commands to interact with Tuttle’s curent cluster. I would be interested in learning about MD |
| ARCHIE Project description: | 50 GB based on 1000 calculations |
| Potential output of the project: |
publications in high impact journals (eg. Chemistry, a European Journal), pump-priming for bigger projects in EPSRC priority areas (eg. Catalysis) |
| Project start date: | 01/07/2015 |
| Duration of the project: | 3 years |
| Total CPU time required (in hours): | 5000 |
| CPU hours required by typical job: | 1 |
| Approximate amount of data created per job (in GB): | I know enough LIMUX commands to interact with Tuttle’s curent cluster. I would be interested in learning about MD |
| Approximate amount of data created per project: | 50 GB based on 1000 calculations |
| Funding Agency Grant Reference No: | |
| pFact ID: | |
| RKES ID: | |
| Software required for the project: | licensed software |
| Software required to be installed for the project: | N/A (I understand that Gaussian is installed) |
| 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: | 3 |
| Training required: | |
| Other training required: | I know enough LIMUX commands to interact with Tuttle’s curent cluster. I would be interested in learning about MD |
| Experience in using HPC: | 2 |