Supercomputer Center Management Challenges. Branislav Jansík

Transcription

1 Supercomputer Center Management Challenges Branislav Jansík

2 PhD at KTH Stockholm Molecular properties for heavy element compounds Density Functional Theory for Molecular Properties PostDoc at CNR Pisa Computational X-ray spectroscopy Two Photon Circular Dichroism

3 PostDoc at Aarhus University Development of numerical algorithms of linear scaling complexity Researcher at Aarhus University Development of algorithms for optimization of self-consistent field states. Development and applications in molecular orbital localization methodology Development of Divide-Expand-Consolidate method for linear-scaling Coupled-cluster calculations. Leading parallelization of computationally demanding programs using OMP and MPI technology More than 30 published papers h-index 12

4 Experience Executing large parallel jobs Building and running small cluster Programming complex parallel applications Designing and Leading implementation of complex parallel algorithms Number of various supercomputers (clusters and SMPs) in Sweden, Denmark, Norway, Finland, Italy, Spain and USA Computational Grants in CEA and ORNL (5Mh) Computer security approaches User support models User scheduling policies Variety of requirements put on supercomputers by their users

5 Visions - The Goal Supercomputer Center research environment that is on par (or better) to established supercomputer centers worldwide

6 Visions - Client experience Supercomputer center from client perspective User support Operations Client expectations Simple, accurate website documenting hardware, software and usage Fast and highly qualified communication from the support personnel Swift implementation of support changes/ideas Receptiveness and pro-activeness

7 Visions - Client experience Supercomputer center from client perspective User support Operations Client expectations Simple, accurate website documenting hardware, software and usage Fast and highly qualified communication from the support personnel Swift implementation of support changes/ideas Receptiveness and pro-activeness

8 Management challenges Procurement process management Human resource management Computational resources management

9 Procurement process Supercomputer - extremely complex subject to procure ICT Infrastructure Support Infrastructure Supercomputer center building Must form functional ensemble Must be well balanced and energy efficient Time sync between parts

10 Procurement process Emerging technologies Processor architectures Accelerator architectures Interconnect technologies Direct warm water cooling for high energy efficiency Warm water cooling Innovative Green and efficient Cost efficient Unexplored and Complex

11 Procurement process Governed by Law no. 137/2006 Sb. 11 volumes of implementation guidelines Rules and guidelines of OP VaVpI Process properties Complex multi-step Metastable Stochastic Risks Utilization of funds Ineligible expenses Overrun of deadlines ÚOHZ Restart

12 Procurement process strategy and status Small cluster bridging the construction gap Competitive dialogue The supercomputer cluster 3 complete and valid offers Competitive dialogue Under evaluation by Preliminary announcement committee invoked Workshop for potential suppliers on Support infrastructure Open selection procedure Design and specifications under way Design team visited LRZ center, the #1 in Europe

13 Human resources management Organizational structure requirements Flexible and adaptable Easy Knowledge and skill sharing Allow cross center awareness Allow cross center user support Properties towards employees Empowered employees Encourage professional growth Allow mutual substitutability

14 Matrix organizational structure: R&D Task leader 1 Task leader 2 Task leader 3 HW Director SW Quality & Adm Team 1 Team 2 Team 3 User support

15 Research and development at SCC IT4I Mission Research into flexible and innovative utilization of available resources Exploration of novel approaches, opportunities and directions Output Internal publications, buildup of knowledge base Best practices guides White papers Publications in peer-reviewed journals

16 Computational resources management Resources Core hours Storage (TB) Software licences (hours) Allocation Internal IT4I grant competition Open IT4I grant competition PRACE Directors discretion

17 Computational resources management IT4I grant competition Call for proposals, 2x (4x) per year Duration 6 months Content: Description of research, Computational preparedness, Resources requested Evaluation: Internal and/or external Directors discretion Any time Duration 6 months Content: Same as above Purpose: Commercial allocations, Strategic importance, Startup, scalability and productivity enh.

18 Conclusions Procurement process is the major challenge, due to complexity of modern supercomputer centers and due to governing legal framework Human resources will be organized in matrix structure to deliver high standard of services. Computational resources available to general academic community will allocated in competition of scientific and technical quality