Project Application Details

ARCHIE Project title: A storage limit of ca. 50 – 100 GB would be sufficient
Project PI: 295 Cathedral Street
Department: 01/03/2017
Address: 295 Cathedral Street, , licensed software, G1 1XL
Relevant industrial collaborations: Syngenta, AstraZeneca, GSK
Existing relevant KTP activities:
Does the PI require to run calculations? 1
Number of users involved in the project: N/A
User 1 details:

Dr David Nelson
david.nelson@strath.ac.uk
University of Strathclyde
+44 (0)141 548 4383
Lecturer

Service level requested: How to submit Gaussian09 jobs to whichever queuing system is used on ArchieWEST
ARCHIE Project description: A storage limit of ca. 50 – 100 GB would be sufficient
Potential output of the project:

High impact publications from supporting high-quality experiment with theoretical insight: aiming for J. Am. Chem. Soc., Angew. Chem. Int. Ed., and Chem. Sci.
Demonstrate proof-of-concept for EPSRC grant applications.
Develop KE interactions with research sponsors (Syngenta, GSK, AstraZeneca)

Project start date: 01/03/2017
Duration of the project: N/A
Total CPU time required (in hours): Variable – most likely ca. 500/month
CPU hours required by typical job: 1
Approximate amount of data created per job (in GB): How to submit Gaussian09 jobs to whichever queuing system is used on ArchieWEST
Approximate amount of data created per project: A storage limit of ca. 50 – 100 GB would be sufficient
Funding Agency Grant Reference No: N/A
pFact ID: N/A
RKES ID: N/A
Software required for the project: licensed software
Software required to be installed for the project: Gaussian09
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: Other
Other training required: How to submit Gaussian09 jobs to whichever queuing system is used on ArchieWEST
Experience in using HPC: 6