| ARCHIE Project title: | 1500 GB |
| Project PI: | Thomas Graham Building 295 Cathedral Street |
| Department: | 22nd June 2020 |
| Address: | Thomas Graham Building, 295 Cathedral Street, user supplied code, G111XL |
| Relevant industrial collaborations: | Endofotonics Ltd |
| Existing relevant KTP activities: | |
| Does the PI require to run calculations? | 1 |
| Number of users involved in the project: | 3 years |
| User 1 details: |
Miss Rose McHardy, rose.mchardy@strath.ac.uk, University of Strathclyde, +44 (0) 141 548 4178, PhD student, DS ID mkb15179 Rose already has a “teaching” account on ARCHIE from working in my lab as an MChem final year project student last year. Sorry, I don’t have her old DS ID to hand, but her undergraduate email address was “rose.mchardy.2015@uni.strath.ac.uk”. Please could the data from that account be copied to her new ARCHIE account (or, please can both be left open so that she can do the transfer herself)? Thank you! Potential funding from Endofotonics (to be negotiated). |
| Service level requested: | |
| ARCHIE Project description: | 1500 GB |
| Potential output of the project: |
4-5 publications in multi-disciplinary (J. Am. Chem. Soc.) or discipline specific journals (J. Chem. Theory Comput., J. Chem. Phys., J. Chem. Inf. Model, Mol. Pharmaceutics, Analyst) |
| Project start date: | 22nd June 2020 |
| Duration of the project: | 3 years |
| Total CPU time required (in hours): | 300000 |
| CPU hours required by typical job: | 1 |
| Approximate amount of data created per job (in GB): | |
| Approximate amount of data created per project: | 1500 GB |
| Funding Agency Grant Reference No: | n/a |
| pFact ID: | |
| RKES ID: | |
| Software required for the project: | user supplied code |
| Software required to be installed for the project: | n/a |
| Experience in using software package 1: | 8 |
| 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 training required: | |
| Experience in using HPC: | 7 |