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 |