UK HPC Software Installed Base - Update for Innovate UK e-Infrastructure SIG
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The document provides an analysis of the software installed on high-performance computing (HPC) clusters in the UK, outlining the methodologies used for data collection and the results obtained. It highlights common software tools, libraries, and commercial applications used across various institutions, indicating potential for national licensing and training opportunities. The findings demonstrate considerable overlap between research and industry software needs.
UK HPC Software Installed Base - Update for Innovate UK e-Infrastructure SIG
- 1. Martin Hamilton, Jisc UK HPC Software Installed Base Innovate UK e-Infrastructure SIG Photo CC BY-NC-SA Flickr user stuckincustoms January 2015 122/01/2015 UK HPC Software Installed Base
- 2. Contents UK HPC Software Installed Base 1. Background 2. Methodology 3. Results 22/01/2015 UK HPC Software Installed Base 2
- 3. Contents UK HPC Software Installed Base 1. Background 2. Methodology 3. Results 22/01/2015 UK HPC Software Installed Base 3
- 4. Background What software do people have installed? › Potential for national licensing deals › Training, support and advice › Commonalities between research and industry › Responses received from – ARCHIE-WeST, Bath, Cambridge, DiRAC, Edinburgh, EPCC, Glasgow, Hartree, Imperial, Leicester, Leeds, Liverpool, Lancaster, N8, NBI, Oxford,QMUL, Sheffield, 22/01/2015 UK HPC Software Installed Base 4
- 5. Contents UK HPC Software Installed Base 1. Background 2. Methodology 3. Results 22/01/2015 UK HPC Software Installed Base 5
- 6. Methodology Collect info programmatically: › Most HPC clusters use “module” or an equivalent › “module available” lists software packages installed, plus versions and subversions / variants › Minimal effort required from respondents – run one command, copy and paste results into an email › Some massaging of the results required due to people giving the same package slightly different names 22/01/2015 UK HPC Software Installed Base 6
- 7. Contents UK HPC Software Installed Base 1. Background 2. Methodology 3. Results 22/01/2015 UK HPC Software Installed Base 7
- 8. Results /cm/local/modulefiles: cluster-tools/6.1 2014/02/25 12:51:30 cmd 2014/03/01 13:14:31 Cmsh 2014/03/01 13:14:31 cmsub/6.1 2013/08/21 2:30:43 Dot 2013/11/05 21:51:26 (etc) 22/01/2015 UK HPC Software Installed Base 8 Raw data
- 9. Results 3.1.6 3ware/9.5.2 7zip/9.20(default) abaqus abaqus/6.10 abaqus/6.10 abaqus/6.10-1 abaqus/6.10-ef (etc) 22/01/2015 UK HPC Software Installed Base 9 Tidied up › Multiple versions of packages and no naming conventions per se › But people tend to use very similar names, so not too tricky to reconcile
- 10. Results › 348 intel › 138 openmpi › 99 fftw › 69 gromacs › 67 hdf5 › 65 castep › 64 python › 57 cuda › (etc) 22/01/2015 UK HPC Software Installed Base 10 Summarised › Lots of common tooling and libraries › Some HPC specific, and lots of more general stuff e.g. Python, gcc – Leads to “double counting” › Open source applications and commercial of the shelf software
- 11. Results › 138 Open MPI › 99 FFTW › 69 Gromacs › 67 HDF5 › 65 CASTEP › 51 NetCDF › 50 R › 45 PETSc 22/01/2015 UK HPC Software Installed Base 11 Open source › Training, support and advice? › Commonalities between research and industry?
- 12. Results › 348 Intel Cluster Studio › 42 ANSYS / Fluent / CFX › 40 Matlab › 36 NAG › 34 Gaussian › 30 AMBER › 30 Abaqus › 29 Star-CCM+ › 20 LS-DYNA 22/01/2015 UK HPC Software Installed Base 12 Commercial software › Training, support and advice? – HE sector training repurposed for industry? e.g. CDTs, DTPs › Commonalities between research and industry? – Matchmaking opportunities › Potential for national licensing deals?
- 13. Results › 348 Intel Cluster Studio › 42 ANSYS / Fluent / CFX › 40 Matlab › 36 NAG › 34 Gaussian › 30 AMBER › 30 Abaqus › 29 Star-CCM+ › 20 LS-DYNA 22/01/2015 UK HPC Software Installed Base 13 Commercial software › Training, support and advice? – HE sector training repurposed for industry? e.g. CDTs, DTPs › Commonalities between research and industry? – Matchmaking opportunities › Potential for national licensing deals?
- 14. Martin Hamilton, Jisc UK HPC Software Installed Base Innovate UK e-Infrastructure SIG Photo CC BY-NC-SA Flickr user stuckincustoms January 2015 1422/01/2015 UK HPC Software Installed Base