Computational

Transcription

1 Computational Pedro Alberto Centro de Física Computacional Laboratório de Computação Avançada Universidade de Coimbra July 25, 2014 mobile elements 1

2 Supercomputing Drives Science through Simulation Environment Weather/ Climatology Pollution / Ozone Hole Ageing Society Medicine Biology Materials/ Inf. Tech Spintronics Nano-science 2 Energy Plasma Physics Fuel Cells

3 Laboratory for Advanced Computing Inaugurated in 2001 Hosted a Beowulf cluster until 2008 Hosts two main clusters Milipeia (in production since 2007) Centaurus (2010) July 25, 2014 mobile elements 3

4 MILIPEIA 132 nodes 520 compute cores Gigabit Ethernet 1040 Gbytes of memory 6 Tbytes disk 2,288 Tflop/s peak Access through yearly calls July 25, 2014 mobile elements 4

5 Centaurus 23 nodes (184 cores) 2x Intel GHz (quadcore) 24 GB RAM and 48 GB RAM Infiniband DDR (20 Gb/s) 7 nodes with GPUs NVidia NVIDIA Tesla FERMI C2050 3GB GDDR5, 448 cores 515 Gflops (DP), 1030 Gflops (SP) July 25, 2014 mobile elements 5

6 More information July 25, 2014 mobile elements 6

7 Scientific projects Access to Milipeia is by scientific projects submission according to the usual practice in international supercomputing centers. It is the only Center in Portugal to launch regular national calls for CPU time. The calls are for a year and issued typically every year in October/November Currently in the 7th call May July 25, 27, mobile elements 7

8 Scientific projects Since 2007 about 190 projects have used more than 17 M cpuhours PIs from 8 Universities, 3 research institutions and National Labs collaborators all over Portugal and abroad July 25, 2014 mobile elements 8

9 Scientific projects related to biosystems/medical applications (a sample) Neutron and Proton Radiobiology at ICNAS MD simulations of proteins: towards a better understanding of amyloid diseases Modelation of Angiogenesis Modelling cytotoxicity of Pt(II) and Pd(II) agents - Interplay with DNA Radiation Therapy Monitoring with a Dedicated Prompt-Gamma-Camera Biomarkers of Ageing of the Nervous System Influência da temperatura na formação da estrutura das proteínas July 25, 2014 mobile elements 9

10 Milipeia Usage and training Both Milipeia and Centaurus are used by post-graduate students and suport classes of parallel computing Organization of training workshops for usage of Milipeia OpenMP and MPI parallel languages and scientific application development (PRACE) May July 25, 27, mobile elements 10

11 International participations PRACE ( Association of 25 european countries Supplies computing time and advanced computing to european scientists Organizes scientific and industrial anual events LCA (UC-LCA) is the portuguese representative (partners: IST and Univ. Évora) RISC ( Europe - Latin America network for advanced Computing (ended 2013) Sharebiotech ( July 25, 2014 mobile elements 11

12 Future A new supercomputer (3936 cores, 85 Tflop/s peak, 96 GB/node, 150 TB shared storage) is planned to be installed by the end of 2014 This computer will be integrated in the Tier-1 PRACE network of supercomputers in 2015 July 25, 2014 mobile elements 12

13 Future UC-LCA was approved as an e-infrastructure in the recent FCT call (>400 k /year) Hire computer administrators and computing scientific experts in material science and biosciences Purchase high-performance storage and specialized computer clusters (e.g. genome sequencing and analysis) Collaboration with industry, including biotech companies like Bsim2 and Coimbra Genomics Participation in H2020 HPC projects July 25, 2014 mobile elements 13

14 Thank you! May July 25, 27, mobile elements 14