Project Application Details

ARCHIE Project title: 50 GB based on 1000 calculations
Project PI: Thomas Graham Building 295 Cathedral Street
Department: 01/07/2015
Address: Thomas Graham Building, 295 Cathedral Street, licensed software, G11XL
Relevant industrial collaborations: GSK
Existing relevant KTP activities:
Does the PI require to run calculations? 1
Number of users involved in the project: 3 years
User 1 details:

Myself, as indicated above

Service level requested: I know enough LIMUX commands to interact with Tuttle’s curent cluster. I would be interested in learning about MD
ARCHIE Project description: 50 GB based on 1000 calculations
Potential output of the project:

publications in high impact journals (eg. Chemistry, a European Journal), pump-priming for bigger projects in EPSRC priority areas (eg. Catalysis)

Project start date: 01/07/2015
Duration of the project: 3 years
Total CPU time required (in hours): 5000
CPU hours required by typical job: 1
Approximate amount of data created per job (in GB): I know enough LIMUX commands to interact with Tuttle’s curent cluster. I would be interested in learning about MD
Approximate amount of data created per project: 50 GB based on 1000 calculations
Funding Agency Grant Reference No:
pFact ID:
RKES ID:
Software required for the project: licensed software
Software required to be installed for the project: N/A (I understand that Gaussian is installed)
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: 3
Training required:
Other training required: I know enough LIMUX commands to interact with Tuttle’s curent cluster. I would be interested in learning about MD
Experience in using HPC: 2