| ARCHIE Project title: | A storage limit of ca. 50 – 100 GB would be sufficient |
| Project PI: | 295 Cathedral Street |
| Department: | 01/03/2017 |
| Address: | 295 Cathedral Street, , licensed software, G1 1XL |
| Relevant industrial collaborations: | Syngenta, AstraZeneca, GSK |
| Existing relevant KTP activities: | |
| Does the PI require to run calculations? | 1 |
| Number of users involved in the project: | N/A |
| User 1 details: |
Dr David Nelson |
| Service level requested: | How to submit Gaussian09 jobs to whichever queuing system is used on ArchieWEST |
| ARCHIE Project description: | A storage limit of ca. 50 – 100 GB would be sufficient |
| Potential output of the project: |
High impact publications from supporting high-quality experiment with theoretical insight: aiming for J. Am. Chem. Soc., Angew. Chem. Int. Ed., and Chem. Sci. |
| Project start date: | 01/03/2017 |
| Duration of the project: | N/A |
| Total CPU time required (in hours): | Variable – most likely ca. 500/month |
| CPU hours required by typical job: | 1 |
| Approximate amount of data created per job (in GB): | How to submit Gaussian09 jobs to whichever queuing system is used on ArchieWEST |
| Approximate amount of data created per project: | A storage limit of ca. 50 – 100 GB would be sufficient |
| Funding Agency Grant Reference No: | N/A |
| pFact ID: | N/A |
| RKES ID: | N/A |
| Software required for the project: | licensed software |
| Software required to be installed for the project: | Gaussian09 |
| 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: | Other |
| Other training required: | How to submit Gaussian09 jobs to whichever queuing system is used on ArchieWEST |
| Experience in using HPC: | 6 |