Available HPC Resources at CSUC
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The document provides information about available HPC resources at CSUC. It summarizes the hardware facilities which include the Canigó and Pirineus II clusters totaling 3,888 cores and 391 TFlops of computing power. It describes the working environment including the Slurm workload manager, storage units, and development tools available. It also outlines how users can access the services through RES projects, pricing, and the EuroCC Spain testbed for national HPC competence.
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Available HPC Resources at CSUC
- 1. Available HPC resources at CSUC Adrián Macía 13 / 12 / 2022
- 2. Summary • Who are we? • Scientific computing at CSUC • Hardware facilities • Working environment • Development environment • How to access our services?
- 3. Summary • Who are we? • Scientific computing at CSUC • Hardware facilities • Working environment • Development environment • How to access our services?
- 4. What is the CSUC?
- 5. What is the CSUC? Institutions in the consortium Associated institutions
- 6. What we do? Scientific computing Communications IT Infrastructures Procurements Scientific documentation management Joint purchases Electronic administration
- 7. Summary • Who are we? • Scientific computing at CSUC • Hardware facilities • Working environment • Development environment • How to access our services?
- 8. Science before scientific computing Theory Experiments
- 9. New paradigm: scientific computing Science needs to solve problems that, otherwise, can not be solved Development of new theoretical and technological tools Problem resolution that drives to new questions
- 10. But... what is Scientific Computing?
- 11. Science progress after Scientific Computing Theory Experiment Simulations
- 12. New and powerful tools change the scientific process
- 13. Usage examples: Engineering simulations Aerodynamics of a plane Vibrations in structures Thermal simulation of lighting systems Thermal distribution in a brake disc
- 14. Usage examples: Simulations in life sciences Interaction between SARS-CoV-2 spike protein and different surfaces Prediction of protein structures using Artificial Intelligence
- 15. Usage examples: simulations in material science Emergent structures in ultracold materials Graphene electronic structure Adsorbed molecules in surfaces
- 16. Main applications per knowledge area Chemistry and Materials Science Life and Health Sciences Mathematics, Physics and Engineering Astronomy and Earth Sciences
- 17. Software available • In the following link you can find a detailed list of the software installed: https://confluence.csuc.cat/display/HPC KB/Installed+software • If you don't find your application ask for it to the support team and we will be happy to install it for you or help you in the installation process
- 18. Demography of the service: users These projects are distributed in: 13 Large HPC projects (> 500.000 UC) 7Medium HPC project (250.000 UC) 3 Small HPC projects (100.000 UC) 12 XSmall HPC projects (50.000 UC) 2 Industrial HPC projects 13 RES projects 2 Test projects 52 research projects from 22 different institutions are using our HPC service.
- 19. 2021
- 20. Resource usage per month
- 21. Resource usage per institution
- 22. Top resource consuming applications
- 24. Usage per architecture Architecture % of the total capacity Usage (CH) Occupation of the partition (% over the theoretical maximum) Std 71 % 16.790.160 89 % Fat 8% 53.435 6 % GPU 5% 545.469 18 % KNL 6% 44.771 13 % Canigo 10% 1.303.276 54 %
- 25. Demography of the service: jobs (I) Jobs per # cores
- 26. Demography of the service: jobs (II) CPUtime per number of cores
- 27. % Jobs vs memory per core
- 28. % CPUTime vs memory per core
- 29. Wait time of the jobs
- 30. Wait time vs Job core count
- 31. Summary • Who are we? • Scientific computing at CSUC • Hardware facilities • Working environment • Development environment • How to access our services?
- 32. Hardware facilities Canigo (2018) Bull Sequana X800 384 cores Intel SP Platinum 8168 9 TB RAM memory 33 Tflop/s Pirineus II (2018,2021) Bull Sequana X550 3504 cores Intel SP Platinum 4 nodes with 2 GPU + 4 Intel KNL nodes 358TFlop/s More info: https://confluence.csuc.cat/display/HPCKB/Machine+specifications
- 33. Canigó • Shared memory machines (2 nodes) • 33.18 Tflop/s peak performance (16,59 per node) • 384 cores (8 cpus Intel SP Platinum 8168 per node) • Frequency of 2,7 GHz • 4,6 TB main memory per node • 20 TB disk storage per node
- 34. 4 nodes with 2 x GPGPU • 48 cores (2x Intel SP Platinum 8168, 2.7 GHz) • 192 GB main memory • Nvidia P100 GPGPU • 4.7 Tflop/s per GPGPU 4 Intel KNL nodes • 1 x Xeon-Phi 7250 (68 cores @ 1.5 GHz, 4 hw threads) • 384 GB main memory per node • 3.5 Tflop/s per node Pirineus II
- 35. Standard nodes (44 nodes) • 44 nodes: - 48 cores (2x Intel SP Platinum 8168, 2.7 GHz) - 192 GB main memory (4 GB/core) - 4 TB disk storage per node • 19 nodes: - 48 cores (2x Intel SP Platinum 8268 2,9 GHz - 192 GB main memory (4 GB/core) - 4 TB disk storage per node High memory nodes (6 nodes) • 48 cores (2x Intel SP Platinum 8168, 2.7 GHz) • 384 GB main memory (8 GB/core) • 4 TB disk storage per node Pirineus II
- 36. High performace scratch system • High performance storage available based on BeeGFS • 180 TB total space available • Very high read / write speed • Infiniband HDR direct connection (100 Gbps) between the BeeGFS cluster and the compute nodes.
- 37. HPC Service infrastructure at CSUC Canigó Pirineus II
- 38. Summary of HW infrastructure Canigó Pirineus II TOTAL Cores 384 3 504 3 888 Total Rpeak (TFlop/s) 33 358 391 Power consumption (kW) 5.24 31.93 37 Efficiency (Tflop/s/kW) 6.33 11.6 10.5
- 39. Summary • Who are we? • Scientific computing at CSUC • Hardware facilities • Working environment • Development environment • How to access our services?
- 40. Working environment • The working environment is shared between all the users of the service. • Each machine is managed by GNU/Linux operating system (Red Had). • Computational resources are managed by the Slurm Workload manager. • Compilers and development tools availble: Intel, GNU and PGI
- 41. Batch manager: Slurm • Slurm manages the available resources in order to have an optimal distribution between all the jobs in the system • Slurm assign different priority to each job depending on a lot of factors … more on this after the coffee!
- 42. Storage units (*) There is a limit per project depending on the project category. Group I: 200 GB, group II 100 GB, group III 50 GB, group IV 25 GB Name Variable Availability Quota Time limit Backu p /home/$USER $HOME Global 25- 200 GB (*) Unlimited Yes /scratch/$USER/ − Global 1 TB 30 days No /scratch/$USER/tmp/$J OBID $SCRATCH/ $SHAREDSCRAT CH Global 1 TB 7 days No /tmp/$USER/$JOBID $SCRATCH/ $LOCALSCRATC H Local node − Job execution No
- 43. Choosing your architecture: HPC partitions // queues • We have 5 partitions available for the users: std, std-fat, gpu, knl, mem working on standard, standard fat, gpu, knl or shared memory nodes. • Each user can use any of them (except RES users that are restricted to their own partitions) depending on their needs … more on this later...
- 44. Do you need help? http://hpc.csuc.cat
- 45. Documentation: HPC Knowledge Base http://hpc.csuc.cat > Documentation
- 46. Problems or requests? Service Desk http://hpc.csuc.cat > Support
- 47. Summary • Who are we? • Scientific computing at CSUC • Hardware facilities • Working environment • Development environment • How to access our services?
- 48. Development tools @ CSUC HPC • Compilers available for the users: o Intel compilers o PGI compilers o GNU compilers • MPI libraries: o Open MPI o Intel MPI o MPICH o MVAPICH
- 49. Development tools @ CSUC HPC • Intel Advisor, VTune, ITAC, Inspector • Scalasca • Mathematical libraries: o Intel MKL o Lapack o Scalapack o FFTW • If you need anything that is not installed let us know
- 50. Summary • Who are we? • Scientific computing at CSUC • Hardware facilities • Working environment • Development environment • How to access our services?
- 51. How to access to our services? • If you are not granted with a RES project or you are not interested in applying for it you can still work with us. More info in https://www.csuc.cat/ca/supercomputacio/solli citud-d-us
- 53. Accounting HPC resources There are some considerations concerning the accounting of HPC resources: • If you want to use the gpu partition you need to allocate a full socket (24 cores) at minimum. This is imposed by the fact that we don't want two different jobs sharing the same GPU • If you want to use the KNL nodes you need to allocate the full node (68 cores). Same reason that the previous case • Each partition has an associated default memory per core. If you need more than that you should ask for it and the system will assign more cores (with its associated memory) for your job.
- 54. Access through RES project • You can apply for a RES (red española de supercomputación) project asking to work at CSUC (in pirineus II or canigo). More information about this on https://www.res.es/es/acceso-a-la- res
- 55. National competence center in HPC: EuroCC Spain RES
- 56. EuroCC Spain testbed • EuroCC is an H2020 European project that want to establish a network of National competence center (NCC) in HPC, HPDA and AI in each country involved on the project • The aim of the project is to promote the usage of scientific computing, mainly for SME's, but also in academia and public administration • Our HPC resources are also offered through the Spanish national competence center in HPC https://www.eurocc-project.eu/ https://eurocc-spain.res.es/
- 57. Nombre Nombre institución Fecha Goals: • To install and operate a quantum computer based on superconductingqbits (BSC)and two quantum emulators (CESGA and SCAYLE) • Starta service of remote access to the quantum computer (cloud access) to facilitate the access to the researchers interested in working with this new technology • Provide support to the users of these quantum infrastructures • Development of new quantum algorithms Desenvolupament d'algoritmes quàntics aplicables a problemes reals, principalment enfocats al Quantum Machine Learning Alejandro Jaramillo joined us as a quantum computing expert to provide support to the users and promote the usage of the infrastructure Quantum Spain Project
- 58. Questions?
- 59. MOLTES GRÀCIES http://hpc.csuc.cat CristianGomollón Adrián Macía Ricard de laVega Ismael Fernàndez VíctorPérez AlejandroJaramillo