ARCHIE Project title: | 1TB |
Project PI: | Thomas Graham Building 295 Cathedral Street |
Department: | 17th April 2014 |
Address: | Thomas Graham Building, 295 Cathedral Street, open-source software, G1 1XL |
Relevant industrial collaborations: | |
Existing relevant KTP activities: | |
Does the PI require to run calculations? | 9 |
Number of users involved in the project: | 1 year |
User 1 details: |
Mr Maksim Misin, maksim.misin@strath.ac.uk, University of Strathclyde, +44 (0) 141 548 4217, PhD student |
Service level requested: | |
ARCHIE Project description: | 1TB |
Potential output of the project: |
Papers in chemical journals (e.g. J. Chem. Theory Comput., J. Comput. Chem., J. Chem. Phys.). |
Project start date: | 17th April 2014 |
Duration of the project: | 1 year |
Total CPU time required (in hours): | 100,000 |
CPU hours required by typical job: | 9 |
Approximate amount of data created per job (in GB): | |
Approximate amount of data created per project: | 1TB |
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: | AmberTools14 (http://ambermd.org/) |
Experience in using software package 1: | |
Software required to be installed for the project: | |
Experience in using software package 2: | 9 |
Software required to be installed for the project: | |
Experience in using software package 3: | 1 |
Training required: | |
Other training required: | |
Experience in using HPC: | 9 |