Project Application Details

ARCHIE Project title: 1 TB (very approximately)
Project PI: Joseph Black Building
Department: asap
Address: Joseph Black Building, , open-source software, G12 8QQ
Relevant industrial collaborations:
Existing relevant KTP activities:
Does the PI require to run calculations? 10
Number of users involved in the project: 2 years
User 1 details:

Dr Nikita Tukachev (Nikita.Tukachev@glasgow.ac.uk), PDRA, address as above, +44 (0)141 330 8261

Service level requested:
ARCHIE Project description: 1 TB (very approximately)
Potential output of the project:

Publications, e.g. in J. Chem. Theory Comput., J. Am. Chem. Soc., J. Chem. Phys.

Project start date: asap
Duration of the project: 2 years
Total CPU time required (in hours): 600k core hours
CPU hours required by typical job: 10
Approximate amount of data created per job (in GB):
Approximate amount of data created per project: 1 TB (very approximately)
Funding Agency Grant Reference No: Leverhulme Trust RPG-2018-350
pFact ID:
RKES ID:
Software required for the project: open-source software
Software required to be installed for the project: For now: Orca, Turbomole (for which we have a licence)
Experience in using software package 1: 10
Software required to be installed for the project: Later: ChemShell
Experience in using software package 2: 10
Software required to be installed for the project:
Experience in using software package 3: 10
Training required:
Other training required:
Experience in using HPC: 10