Project Application Details

ARCHIE Project title: 1.5 TB
Project PI: 295 Cathedral Street
Department: 09/01/2015
Address: 295 Cathedral Street, , open-source software, G1 1XL
Relevant industrial collaborations:
Existing relevant KTP activities:
Does the PI require to run calculations? 8
Number of users involved in the project: 42 Months
Service level requested:
ARCHIE Project description: 1.5 TB
Potential output of the project:

Numerous papers, target journals include JACS, Nature Chemistry, JPC A, B, C and Letters, Langmuir.

Project start date: 09/01/2015
Duration of the project: 42 Months
Total CPU time required (in hours): 5,000,000
CPU hours required by typical job: 8
Approximate amount of data created per job (in GB):
Approximate amount of data created per project: 1.5 TB
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: ORCA, http://www.cec.mpg.de/downloads.html?L=1
Experience in using software package 1:
Software required to be installed for the project: ChemCraft, http://www.chemcraftprog.com/download.html
Experience in using software package 2: 8
Software required to be installed for the project: GROMACS, NAMD and VMD
Experience in using software package 3: 9
Training required:
Other training required:
Experience in using HPC: 9