The 24 th Geant 4 Collaboration Meeting Jefferson

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The 24 th Geant 4 Collaboration Meeting Jefferson Lab, VA, USA September 23~28, 2019

The 24 th Geant 4 Collaboration Meeting Jefferson Lab, VA, USA September 23~28, 2019 Geant 4 profiling for using the KISTI-5 supercomputer Kihyeon Cho, Insung Yeo and Myeong Hwan Mun (KISTI) 1

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Contents • Introduction • Profiling using brachytherapy 1. KISTI-4 (tachyon 2) 2. KISTI-5 (KNL)

Contents • Introduction • Profiling using brachytherapy 1. KISTI-4 (tachyon 2) 2. KISTI-5 (KNL) 3. KISTI-5 (Skylake) • Results • Summary 3

Introduction 4

Introduction 4

The changing nature of scientific research e-Science 8 Prof. D. Reed

The changing nature of scientific research e-Science 8 Prof. D. Reed

 • Supercomputing meets machine learning. ⇒ Evolving computing architecture 6 Prof. J. Lee

• Supercomputing meets machine learning. ⇒ Evolving computing architecture 6 Prof. J. Lee

Evolving Computing Architecture • KISTI Supercomputing Center – KISTI-4 ⇒ KISTI-5 KISTI-4 KISTI-5 7

Evolving Computing Architecture • KISTI Supercomputing Center – KISTI-4 ⇒ KISTI-5 KISTI-4 KISTI-5 7

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KISTI-5 supercomputer 10

KISTI-5 supercomputer 10

KISTI-5 supercomputer building 11

KISTI-5 supercomputer building 11

Architecture of KISTI-5 supercomputer (SSD) @ Available KNL CORE Time = Available SRU Time

Architecture of KISTI-5 supercomputer (SSD) @ Available KNL CORE Time = Available SRU Time x 4, 352 @ Available SKL CORE Time = Available SRU Time x 1, 280 1 accout: 20, 000 CPU*hour M. S. Joh 12

KISTI-4 vs. KISTI-5 Specification KISTI-4 Name Tachyon 2 Model SUN Blade 6275 Process Intel

KISTI-4 vs. KISTI-5 Specification KISTI-4 Name Tachyon 2 Model SUN Blade 6275 Process Intel Xeon X 5570 (Nehalem) 2. 93 GHz Intel Xeon Phi 7250 (KNL) 3. 0464 TFlops/CPU Intel Xeon 6148 (Skylake) 1. 536 TFLops/CPU Node 8 core/node 3, 200 node 68 core/CPU 1 CPU/node 8, 305 node 20 core/CPU 2 CPU/node 132 node Core 25, 408 564, 740 5, 280 Rpeak 0. 3 Pflops 25. 3 Pflops 0. 4 Pflops Memory DDR 3/1333 MHz 16 GBx 6, 6 Ch/CPU 96 GB/node 778. 6 TB 16 GBx 12, 6 Ch/CPU 192 GB/node 24. 8 TB 76. 8 TB Storage KISTI-5 Nurion KNL Nurion Skylake Cray C 5500 234 TB disk 2. 3 PB disk 21 PB disk 0. 8 PB SSD 2. 1 PB Tape 10 PB Tape Interconnect Infiniband 40 G 4 XQDR [email protected] 3 GB/s Fat-Tree, 50% Blocking Service date 2010. 8~2018. 11 2018. 10~

KISTI-4 vs. KISTI-5 Gaussian Quantum Espresso (QE) • No significant performance improvement for Gaussian

KISTI-4 vs. KISTI-5 Gaussian Quantum Espresso (QE) • No significant performance improvement for Gaussian • ~8 x performance improvement for QE on single node. 14 ⇒ How about Geant 4?

Profiling using Brachytherapy 15

Profiling using Brachytherapy 15

Profiling system Content Geant 4 Version Brachytherapy 10. 02 Brachy version • 10. 03

Profiling system Content Geant 4 Version Brachytherapy 10. 02 Brachy version • 10. 03 p 02 10. 03 p 03 10. 04 10. 02 Macro file – Iodium. Source. Macro. mac (endocavitary brachytherapy) – Iridium. Source. Macro. mac (interstitial brachytherapy) – Leipzig. Source. Macro. mac (superficial brachytherapy) • Physics list – QGSP_BIC_LIV – QGSP_BIC_EMZ – QGSP_BIC_EMY • Supercomputer – KISTI-4 (Tachyon 2) ⇒ Last year’s collaboration meeting – KISTI-5 (Nurion KNL) – KISTI-5 (Nurion Skylake) • 1 sequential core to compare with KISTI-4 16

1. KISTI-4 (Tachyon 2) ※ We had shown this at the last year’s collaboration

1. KISTI-4 (Tachyon 2) ※ We had shown this at the last year’s collaboration meeting. 17

QGSP BIC EMY A significant suppression of sampling atomic de-excitation

QGSP BIC EMY A significant suppression of sampling atomic de-excitation

QGSP BIC EMZ

QGSP BIC EMZ

QGSP BIC LIV

QGSP BIC LIV

2. KISTI-5 (Nurion KNL) 21

2. KISTI-5 (Nurion KNL) 21

QGSP BIC EMY

QGSP BIC EMY

QGSP BIC EMZ

QGSP BIC EMZ

QGSP BIC LIV

QGSP BIC LIV

3. KISTI-5 (Nurion Skylake) 25

3. KISTI-5 (Nurion Skylake) 25

QGSP BIC EMY

QGSP BIC EMY

QGSP BIC EMZ

QGSP BIC EMZ

QGSP BIC LIV

QGSP BIC LIV

Results 29

Results 29

QGSP BIC EMY CPU Time in sec/event Iodine Leipzig Iridium

QGSP BIC EMY CPU Time in sec/event Iodine Leipzig Iridium

QGSP BIC EMZ (Iodine) Total memory in count(First event) 160 140 120 100 MB

QGSP BIC EMZ (Iodine) Total memory in count(First event) 160 140 120 100 MB 80 60 40 20 0 1 10. 02 2 10. 03 3 10. 03 P 02 4 10. 03 P 03 10. 04 Geant 4 Version 5 31

QGSP BIC EMZ (Iodine) Total Memory in count (Last event) 400 350 300 250

QGSP BIC EMZ (Iodine) Total Memory in count (Last event) 400 350 300 250 MB 200 150 100 50 0 1 10. 02 2 10. 03 3 10. 03 P 02 4 10. 03 P 03 5 10. 04 Geant 4 Version 32

Summary • Done – Low energy physics profiling code – Version dependency – KISTI-4

Summary • Done – Low energy physics profiling code – Version dependency – KISTI-4 vs. KISTI-5 supercomputer • Future – To use parallel processing with more cores – Open. Speed. Shop – To prepare for exascale computing 33

Acknowledgement • Soon Yung Jun 34

Acknowledgement • Soon Yung Jun 34

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Thank you for your attention! 36

Thank you for your attention! 36

Back up

Back up

KISTI Supercomputing center • KISTI-5 Supercomputer – Processing: 25. 7 PF • Heterogeneous: 25.

KISTI Supercomputing center • KISTI-5 Supercomputer – Processing: 25. 7 PF • Heterogeneous: 25. 3 PF CS 400 w/KNL • CPU-only: 0. 4 PF CS 500 w/SKL KISTI-5 – Storage • 21 PB SPS • 10 PB Archive – Launched in November 2018 38

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Thank you! 43

Thank you! 43