Project Application Details

ARCHIE Project title: 2 TB (very rough estimate)
Project PI: Royal College Building, room 413 204 George Street
Department: 01/10/2013
Address: Royal College Building, room 413, 204 George Street, open-source software, G1 1XW
Relevant industrial collaborations:
Existing relevant KTP activities:
Does the PI require to run calculations? 1
Number of users involved in the project: 30/09/2016
User 1 details:

Ms Alessia Centi
alessia.centi@strath.ac.uk
University of Strathclyde, Department of CPE
+44 (0)141 548 4131 (temporary)
PhD student

Service level requested:
ARCHIE Project description: 2 TB (very rough estimate)
Potential output of the project:

Publications in international journals – 4 papers expected in journals like J. Phys. Chem., Langmuir, JACS.
I have also recently submitted an EPSRC grant application on this topic. Reviews were positive, and the panel decision should be made soon. If favourable, this proposal will specifically include funding for computer time on ARCHIE.

Project start date: 01/10/2013
Duration of the project: 30/09/2016
Total CPU time required (in hours): 100000 (estimate)
CPU hours required by typical job: 1
Approximate amount of data created per job (in GB):
Approximate amount of data created per project: 2 TB (very rough estimate)
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: GROMACS (www.gromacs.org)
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: Basic Linux, Basic of using HPC, Visualisation in VMD, Scripting languages
Other training required:
Experience in using HPC: 4