ARCHIE Project title: | 12GB |
Project PI: | 295 Cathedral Street |
Department: | 01/10/2012 |
Address: | 295 Cathedral Street, , open-source software, G1 1XL |
Relevant industrial collaborations: | |
Existing relevant KTP activities: | |
Does the PI require to run calculations? | 9 |
Number of users involved in the project: | Depending on allocated nodes – can run 1 job per 12 processors, 8000 jobs. |
User 1 details: |
Mr. Pim Frederix |
Service level requested: | |
ARCHIE Project description: | 12GB |
Potential output of the project: |
The most obvious result of the study will be interesting potential candidates for new biomaterials, with uses in e.g. the cell culture field. Our lab has identified a few interesting examples of tripeptides, but it’s impossible to test all combinations. Together with our revised screening protocol, this should provide an interesting result and method for the biomaterials community which we will publish. |
Project start date: | 01/10/2012 |
Duration of the project: | Depending on allocated nodes – can run 1 job per 12 processors, 8000 jobs. |
Total CPU time required (in hours): | 160000 |
CPU hours required by typical job: | 9 |
Approximate amount of data created per job (in GB): | |
Approximate amount of data created per project: | 12GB |
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: | Gromacs |
Experience in using software package 1: | |
Software required to be installed for the project: | VMD |
Experience in using software package 2: | 9 |
Software required to be installed for the project: | |
Experience in using software package 3: | 1 |
Training required: | |
Other training required: | |
Experience in using HPC: | 6 |