Project Application Details

ARCHIE Project title: 3tb
Project PI: 107 Rottenrow
Department: 01/08/2012
Address: 107 Rottenrow, , open-source software, G4 0NG
Relevant industrial collaborations:
Existing relevant KTP activities:
Does the PI require to run calculations? 10
Number of users involved in the project: 01/12/2012
User 1 details:

Dr Karina Kubiak – Ossowska
High Performance Computing Support Team
Department of Physics
University of Strathclyde
e-mail: karina.kubiak@strath.ac.uk

Service level requested:
ARCHIE Project description: 3tb
Potential output of the project:

The simulation work will be compared with experimental work and provide guidance for optimising the synthesis process. Successful work will form a good base for a high impact journal paper and lead to a grant application.

Project start date: 01/08/2012
Duration of the project: 01/12/2012
Total CPU time required (in hours): 25,000
CPU hours required by typical job: 10
Approximate amount of data created per job (in GB):
Approximate amount of data created per project: 3tb
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: NAMD
Experience in using software package 1:
Software required to be installed for the project: VMD
Experience in using software package 2: 10
Software required to be installed for the project:
Experience in using software package 3: 1
Training required:
Other training required:
Experience in using HPC: 10