DMA ST 2 The Digital Scientific Method - M. Al-Turany (GSI) G. Juckland. (HZDR) - Indico

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DMA ST 2 The Digital Scientific Method - M. Al-Turany (GSI) G. Juckland. (HZDR) - Indico
DMA ST 2 ─ The Digital Scientific Method

M. Al-Turany (GSI)
G. Juckland. (HZDR)

                                           www.helmholtz.de
DMA ST 2 The Digital Scientific Method - M. Al-Turany (GSI) G. Juckland. (HZDR) - Indico
Milestones:

              2023
              • DMA repository of interconnectable, modular software in full
                operation
              2025
              • Toolbox for near-realtime data analysis at extreme scales
                available
              2027
              • Surrogate models of multi-source, multi-modal experiments

                                                                               2
                                   M. Al-Turany
DMA ST 2 The Digital Scientific Method - M. Al-Turany (GSI) G. Juckland. (HZDR) - Indico
Common Interest

 § Next generation computing for simulation & analysis

 § Complex data analysis & data fusion

 § Applications of Machine Learning

 § Knowledge Extraction & Data Reduction

 § High Throughput Transport

                               M. Al-Turany              3
DMA ST 2 The Digital Scientific Method - M. Al-Turany (GSI) G. Juckland. (HZDR) - Indico
Status

§ Up to now almost no comunicatin within ST2 partners
§ Very limited contact between GSI and HZDR
§ Will this change? Or everybody will do his daily
 business und once/twice per year we claim that we
 work together and write a report?

                         M. Al-Turany                   4
DMA ST 2 The Digital Scientific Method - M. Al-Turany (GSI) G. Juckland. (HZDR) - Indico
Trying to collect a list of activities!

            Last year we tried to get a list of
            project names and responsible
            persons from the different
            institutes involved i.e: DESY, FZJ,
            GSI, HZB, HZDR and HZG

                                      M. Al-Turany   5
DMA ST 2 The Digital Scientific Method - M. Al-Turany (GSI) G. Juckland. (HZDR) - Indico
1. Next generation computing for simulation & analysis

§ FZJ (active)
  § Software development for the analysis of scattering Experiments
  § Products: https://jugit.fz-juelich.de/mlz
  § Contact: Joachim Wuttke

§ GSI (active)
  § Heterogeneous Computing for Reconstruction and Analysis of Experiment Data
  § Tools : FairRoot, FairMQ, Vc
  § Experiments: Alice, Ship, CBM, Panda, R3B
  § Contact Person(s): ): M. Al-Turany, M. Kretz

                                                                                 6
                                             M. Al-Turany
DMA ST 2 The Digital Scientific Method - M. Al-Turany (GSI) G. Juckland. (HZDR) - Indico
1. Next generation computing for simulation & analysis

§ HZDR (active)
  § Single-source Heterogeneous Computing for Simulation & Data Analysis
  § Tools: Alpaka, MallocMC, llama
  § Experiments: CMS (CERN), DRACO/Penelope (HZDR), HIBEF (XFEL)
  § Contact Person(s): J. Stephan, R. Widera
§ DESY: (active)
  § Frank Gaede, Anton Barty
§ HZG (active)
  § Intensity-based µCT reconstruction techniques optimized for parallel processing (e.g. Alpaka)
§ HZB (Observer)

                                                                                                    7
                                               M. Al-Turany
DMA ST 2 The Digital Scientific Method - M. Al-Turany (GSI) G. Juckland. (HZDR) - Indico
2. Complex data analysis & data fusion
§ FZJ (active)
  § Software development for the analysis of scattering Experiments
  § Products: https://jugit.fz-juelich.de/mlz
  § Contact: Joachim Wuttke

§ GSI (active)
  § Online Data Reconstuction/Reduction of Particle Physics Experiments
  § Tools: FairRoot, FairMQ
  § Experiments: Alice, CBM, Panda
  § Contact Person(s): M. Al-Turany, D. Klein, A.Rybalchenko

                                                                          8
                                             M. Al-Turany
DMA ST 2 The Digital Scientific Method - M. Al-Turany (GSI) G. Juckland. (HZDR) - Indico
2. Complex data analysis & data fusion
§ HZDR(active)
  § In-situ scattering & radiation transport for plasma simulations
  § Tools: PIConGPU
  § Experiments: DRACO, Penelope, HIBEF
  § Contact Person(s): R. Widera, A. Debus

§ DESY: (active)
  § Christoph Wissing, Anton Barty.

§ HZB (Observer)

                                                M. Al-Turany          9
DMA ST 2 The Digital Scientific Method - M. Al-Turany (GSI) G. Juckland. (HZDR) - Indico
3. Applications of Machine Learning
§ FZJ (active)
  § Machine learning for experiment control and data analysis
  § Contact: Marina Ganeva
§ GSI (observer)
§ HZB (Observer)
§ DESY (active)
  § Ruecker, Heuser
§ HZDR (active)
  § Surrogate Models for WDM, HED, Lab-Astro & Plasma-driven accelerators from multi-source,
    multi-modal experimental setups
  § Helmholtz AI (Matter) Young Investigator Group
  § Contact Person: N. Hoffmann

                                                                                               10
                                             M. Al-Turany
4. Knowledge Extraction & Data Reduction
§ GSI (active)
  § Knowledge Extraction from Nuclear Physics Experiments
  § Tools: FairRoot, R3BRoot
  § Experiment: R3B
  § Contact Person(s): R. Karabowicz, D. Kresan

§ DESY: (active)
  § Frank Gaede, Anton Barty

§ HZG (Observer)
§ HZB (Observer)

                                                            11
                                           M. Al-Turany
4. Knowledge Extraction & Data Reduction
§ HZDR (active)
  § Knowledge Extraction from X-ray Scattering Images via Forward & Inverse Methods, Reduced
    Image Representations
  § Experiments: HIBEF
  § Contact Person(s): H. Meissner

                                                                                               12
                                            M. Al-Turany
5. High Throughput Transport

§ GSI (active)
  § Stream Processing of Experiment and Simulation Data
  § Tools : FairMQ, ODC, DDS
  § Experiments: Alice, CBM, Panda
§ Contact Person(s): M. Al-Turany, D. Klein, A.Rybalchenko

§ HZDR (active)
  § Data packing, I/O staging
  § Tools: OpenPMD
  § Contact Person(s): R. Widera

                                                              13
                                               M. Al-Turany
5. High Throughput Transport

§ DESY (active)
  § Martin Gasthuber

§ HZG (Observer)
§ HZB (Observer)
§ FZJ (Observer)

                                              14
                               M. Al-Turany
Trying to collect a list of activities! Results

                Either we improve the comunication or
                we agree that we do not need to
                communicate!

                                                        15
   02.02.2021                      M. Al-Turany
The Good News

02.02.2021        M. Al-Turany   16
From libVc to libstdc++
                                                            Ma
                                                              tth
§ stdx::simd out of the box on Linux                             ias
                                                                       Kr
§ with GCC, Clang, and ICC (all use libstdc++ by default)                 etz
§ part of GCC 11
§ #include 
§ https://godbolt.org/z/PKjWKf
§ 4 instructions, 1 vs. 16 results
 Vec         Vec

                                                                                17
     02.02.2021                              M. Al-Turany
PIConGPU – A Trailblazer for Exascale Codes
                                                                  The „Lama“-Tools from
                                                                  HZDR/CASUS attract more
                                                                  interest:
                                                                  l CERN Hackathon in June 2020

                                                                  l → Pickup in HEP Community

                                                                  l Project migrated to own group

                                                                     on GitHub:
                                                                     https://github.com/alpaka-group

                                                                  l   More tomorrow...

             Alpaka 0.6.0 now with
             l Full support for HIP on AMD and NVIDIA GPUs

             l Initial support for OpenMP target offloading

             l Experimental support for OpenACC

18

      02.02.2021                                   M. Al-Turany                                  18
• Reduce data volumes by doing (quasi) online reconstruction
                    • Each and every event needs to be processed, no rejection
              • High Throughput (and not Performance) Computing problem

             2021                                   3.4 TB/s          90 GB/s    (50 PB/yr)

                                                      1 TB/s                     (22 PB/yr)
             2025                                                     1 GB/s

             2025                                   0.3 TB/s                     (24 PB/yr)
                                                                      1 GB/s

02.02.2021                                           M. Al-Turany                             19
• Reduce data volumes by doing (quasi) online reconstruction
                    • Each and every event needs to be processed, no rejection
              • High Throughput (and not Performance) Computing problem

             2021                                   3.4 TB/s          90 GB/s    (50 PB/yr)

                                                      1 TB/s                     (22 PB/yr)
             2025                                                     1 GB/s

             2025                                   0.3 TB/s                     (24 PB/yr)
                                                                      1 GB/s

02.02.2021                                           M. Al-Turany                             20
ALICE Upgrade

                                                                              • continuous readout
2021                                                                          • x50 event rate
                                                                                3.4 TB/s

                                                                                             50 kHz

                                                                                Online/Offline
                                                                                   Facility
     • Aim is to reduce data volume by doing (quasi)
       online reconstruction
           • Each and every event needs to be processed,
             no rejection
     • High Throughput (and not Performance)                      (50 PB/y)        Storage           90 GB/s
       Computing problem

  02.02.2021                                       M. Al-Turany                                                21
ALICE Upgrade

                                                                    • continuous readout
2021                See                                             • x50 event rate
                  Gen talk b
                               y
                 http eric to Andr                                    3.4 TB/s
                     s://     o      ey
                          ind ls for Lebe
                             ico.    h        d
                                 des igh th ev to
                                    y.de rou mor                                     50 kHz
                                        /ev ghp         row
                                            ent      u      :
                                                /28 t onlin
                                                    053     e
                                                       /co proc Online/Offline
                                                          ntr        ess Facility
                                                              ib        i
     • Aim is to reduce data volume by doing (quasi)             u tion ng
       online reconstruction                                           s/9
                                                                           784
        • Each and every event needs to be processed,                          0/
               no rejection
     • High Throughput (and not Performance)                     (50 PB/y)   Storage     90 GB/s
       Computing problem

  02.02.2021                                      M. Al-Turany                                     22
• Reduce data volumes by doing (quasi) online reconstruction
                    • Each and every event needs to be processed, no rejection
              • High Throughput (and not Performance) Computing problem

             2021                                   3.4 TB/s          90 GB/s    (50 PB/yr)

                                                      1 TB/s                     (22 PB/yr)
             2025                                                     1 GB/s

             2025                                   0.3 TB/s                     (24 PB/yr)
                                                                      1 GB/s

02.02.2021                                           M. Al-Turany                             23
August 26th, 2020                   mCBM@SIS18 2021/22 | Christian Sturm, GSI                                                                     24

  The mCBM experiment - precursor and demonstrator for
  CBM @ SIS100
                                               DAQ container
                                                                                                                         green IT cube

                                                                                               input stage
                                                                                     optical
                                                                                     fibers

                                                                                                                               processing stage
                                                                                   300 m

                                               optical fibers 50m

                                                                                               FLES              Timeslice Building
   triggerless-
 streaming FEE                        50 m
                                                         DPB: FPGA,                                                     Event
                     1m                                                         300 m                                Reconstruction
    assigning       Copper
                             GBTx                               µSlice
                                     optical                                    optical
  time stamps                                                building,                                       Green   Event Selection
      to hits                                                  (FLES                                         IT
                                               TFC           interface)                                      Cube       Archiving
Virtual Cluster: Share hardware for online clusters

                                                         Detectors
                  Data base                              Triggers
                (configuration)                          DAQ
                                           ECS
                    Online                            Time slice
                    Cluster                           building nodes

Re-Use what we already developed
and tested for ALICE Run 3

                                     ECS GUI/CLI
                                                                       25
   02.02.2021                      M. Al-Turany
Possibility of cooperation with EOSC

                         2023
                         • DMA repository of interconnectable, modular software in full
                           operation

                         02/2019 - 08/2022

A sustainable open-access repository to share scientific software and services to the science
community and enable open science
                                                                                            26
                                             M. Al-Turany
Discussion

 For sure there are some good news from other
institutes but due to the bad comunication I miss
                      them!!

               How to proceed?

  02.02.2021           M. Al-Turany                 27
Discussion:

§ We are all busy with our projects, beam times, dead lines etc.

§ We are all fed up with meetings

§ Claiming that we will simply use the same tools is not realstic

§ How to optimize our time and effort?

§ We are different communities supporting different experiments and tools; Some problems
  are similar but many are different, how to identify common interest on technical level?

    02.02.2021                              M. Al-Turany                                    28
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