PRACE Workshop on HPC Approaches on Life Sciences and Chemistry

During two full day sessions 15 high qualified specialists of various of PRACEProject groups presented their results and plans for further research as well astheir success stories in the application of supercomputers to Live Sciences andChemistry. Prominent researchers gave lectures, discussed their achievementsand give their opinions on the current and future trends of HPC. More than 65specialists from academic and IT companies from Bulgaria, Slovenia and Turkeyparticipate in this event. Many useful discussions were provided and newcollaborations in the field of PRACE activities were established. The list of theinvited lecturers include: Florian Berberich (JSC, Germany), Ivan Girotto (ICHEC,Ireland), Vit Vondrak (VSB, Czech Republic), Zdenec Dostal(VSB, CzechRepublic), Vassil Aleksandrov (BSC, Spain), Murat Manguoglu (METU, Turkey),Danica Stojilkovic (IPB, Serbia), Christopher Johnson (EPPC, UK), SvetozarMargenov (NCSA, Bulgaria), Emanouil Atanassov (IICT-BAS, Bulgaria), PeichoPetkov (NCSA, Bulgaria), Georgi Vayssilov (IICT-BAS, Bulgaria), PlamenkaBorovska (IICT-BAS, Bulgaria). The workshop concluded by a panel discussionwhere PRACE HPC experts, together with researchers, discussed possibleimprovements to the services that the current HPC ecosystem provides.

February 17 (Friday)

10:00 – 10:45 Florian Berberich (Juelich, Germany)
PRACE: World class HPC Services for Science
11:15 – 12:00 Christopher Johnson (EPPC, UK)
HECToR: the UK national supercomputing service
12:00 – 12:45 Ivan Girotto (ICHEC, Ireland)
Porting highly computational intensive applications to hybridsystems: case studies from the Irish Centre forHigh-End Computing (ICHEC)
13:45 – 14:30 Rossen Apostolov (ScalaLife Project, Sweden)
ScalaLife: Scalable Software Services for Life Science
14:30 – 15:15 Vit Vondrak (VSB, Czech Republic)
FLOREON+ system – HPC service for floods prediction
15:15 – 16:00 Zdenec Dostal (VSB, Czech Republic)
Scalable algorithms for multibody contact problems:Toward massively parallel implementation andindustrial applications
16:30 – 17:15 Danica Stojilkovic (IPB, Serbia)
HighPerformance Computing Infrastructure for SouthEast Europe’s Research Communities (HP-SEE)project along with some selected supportedapplications
17:15 – 18:00 Murat Manguoglu (METU, Turkey)
Parallel Algorithms for Solution of Large Sparse Linear Systems with Applications

February 18 (Saturday)

9:00 – 9:45 Svetozar Margenov (NCSA&IICT-BAS, Bulgaria)
HPC infrastructure development in Bulgaria
9:45 – 10:30 Vassil Aleksandrov (BSC, Spain)
Scalable algorithms approaches for solving problems withuncertainties
11:00 – 11:45 Emanouil Atanassov (IICT-BAS, Bulgaria)
Stochastic modelling of electron transportproblems on different HPC architectures
11:45 – 12:30 Georgi Vayssilov (NCSA&SU, Bulgaria)
Computational modeling of the structure anddynamics of nanosized systems and surfaces
12:00 – 13:15 Plamenka Borovska (NCSA&TU-Sofia, Bulgaria)
Performance scalability of the Bulgariansupercomputer IBM BlueGene/P for biologicalsequence processing
14:15 – 14:45 Miroslav Rangelov (NCSA, Bulgaria)
Ribosome MD simulations using inmplicit solvent model
14:45 – 15:15 Sofia Ivanovska (IICT-BAS, Bulgaria)
Efficient estimation of financial options usingheterogeneous GPU resources