BEGIN:VCALENDAR
VERSION:2.0
PRODID:-//CERN//INDICO//EN
BEGIN:VEVENT
SUMMARY:Talk by Microsoft Cancelled on Short Notice
DTSTART;VALUE=DATE-TIME:20201201T131500Z
DTEND;VALUE=DATE-TIME:20201201T134500Z
DTSTAMP;VALUE=DATE-TIME:20260307T150115Z
UID:indico-contribution-84-1385@events.chpc.ac.za
DESCRIPTION:https://events.chpc.ac.za/event/84/contributions/1385/
LOCATION:
URL:https://events.chpc.ac.za/event/84/contributions/1385/
END:VEVENT
BEGIN:VEVENT
SUMMARY:Establishment of Botswana NReN
DTSTART;VALUE=DATE-TIME:20201201T133500Z
DTEND;VALUE=DATE-TIME:20201201T135000Z
DTSTAMP;VALUE=DATE-TIME:20260307T150115Z
UID:indico-contribution-84-1384@events.chpc.ac.za
DESCRIPTION:Speakers: Tshiamo Motshegwa ()\nEstablishment of Botswana NReN
 \n\nDr Tshiamo Motshegwa\n\nhttps://events.chpc.ac.za/event/84/contributio
 ns/1384/
LOCATION:
URL:https://events.chpc.ac.za/event/84/contributions/1384/
END:VEVENT
BEGIN:VEVENT
SUMMARY:Closing and end of meeting
DTSTART;VALUE=DATE-TIME:20201201T141000Z
DTEND;VALUE=DATE-TIME:20201201T141500Z
DTSTAMP;VALUE=DATE-TIME:20260307T150115Z
UID:indico-contribution-84-1379@events.chpc.ac.za
DESCRIPTION:Closing and end of meeting\n\nhttps://events.chpc.ac.za/event/
 84/contributions/1379/
LOCATION:
URL:https://events.chpc.ac.za/event/84/contributions/1379/
END:VEVENT
BEGIN:VEVENT
SUMMARY:Recap on Governance Structures and Status
DTSTART;VALUE=DATE-TIME:20201201T130500Z
DTEND;VALUE=DATE-TIME:20201201T133500Z
DTSTAMP;VALUE=DATE-TIME:20260307T150115Z
UID:indico-contribution-84-1377@events.chpc.ac.za
DESCRIPTION:Speakers: Anneline Morgan (SADC Secretariat)\nRecap on Governa
 nce Structures and status \n– Ms Anneline Morgan\, SADC Secretariat\n\nh
 ttps://events.chpc.ac.za/event/84/contributions/1377/
LOCATION:
URL:https://events.chpc.ac.za/event/84/contributions/1377/
END:VEVENT
BEGIN:VEVENT
SUMMARY:Importance of Data in responding to COVID-19
DTSTART;VALUE=DATE-TIME:20201201T094500Z
DTEND;VALUE=DATE-TIME:20201201T100000Z
DTSTAMP;VALUE=DATE-TIME:20260307T150115Z
UID:indico-contribution-84-1383@events.chpc.ac.za
DESCRIPTION:Speakers: Davis Adieno (Global Partnership for Sustainable Dev
 elopment Data)\nImportance of Data in responding to COVID-19\, \n\nMr Davi
 s Adieno\, Global Partnership for Sustainable Development Data\n\nhttps://
 events.chpc.ac.za/event/84/contributions/1383/
LOCATION:
URL:https://events.chpc.ac.za/event/84/contributions/1383/
END:VEVENT
BEGIN:VEVENT
SUMMARY:The Role of Storage for efficient Machine Learning
DTSTART;VALUE=DATE-TIME:20201130T134500Z
DTEND;VALUE=DATE-TIME:20201130T141500Z
DTSTAMP;VALUE=DATE-TIME:20260307T150115Z
UID:indico-contribution-84-1382@events.chpc.ac.za
DESCRIPTION:Speakers: Sven Breuner (Excelero)\nNowadays\, many organizatio
 ns are trying to find ways to converge classic HPC and AI. There are gener
 ally good reasons to do this because of significant similarities between H
 PC and AI workloads and workload scaling. However\, for AI workloads to pe
 rform well on clusters\, it is also important to be aware of the differenc
 es for AI workloads (especially DeepLearning) compared to classic HPC work
 loads. One of the most important differences are the requirements for stor
 age systems for AI compared to classic HPC. This talk will provide an over
 view of the special storage system challenges that come with AI workloads\
 , how to characterize and simulate them and especially how to overcome the
 m to ensure that the GPUs can run efficiently instead of stalling on stora
 ge access.\n\nhttps://events.chpc.ac.za/event/84/contributions/1382/
LOCATION:
URL:https://events.chpc.ac.za/event/84/contributions/1382/
END:VEVENT
BEGIN:VEVENT
SUMMARY:AMD’s Heterogeneous Path to Exascale
DTSTART;VALUE=DATE-TIME:20201201T134500Z
DTEND;VALUE=DATE-TIME:20201201T141500Z
DTSTAMP;VALUE=DATE-TIME:20260307T150115Z
UID:indico-contribution-84-1381@events.chpc.ac.za
DESCRIPTION:Speakers: Matt Foley (Advanced Micro Devices)\nTomorrow’s su
 percomputers will need to leverage the power of heterogeneous architecture
 s in more graceful ways than what can be done today. Doing so will improve
  the trajectory of future performance gains.\n\nhttps://events.chpc.ac.za/
 event/84/contributions/1381/
LOCATION:
URL:https://events.chpc.ac.za/event/84/contributions/1381/
END:VEVENT
BEGIN:VEVENT
SUMMARY:Diversified Computing Power for Pervasive Intelligence
DTSTART;VALUE=DATE-TIME:20201201T120000Z
DTEND;VALUE=DATE-TIME:20201201T123000Z
DTSTAMP;VALUE=DATE-TIME:20260307T150115Z
UID:indico-contribution-84-1380@events.chpc.ac.za
DESCRIPTION:Speakers: Bin Zhou ()\nWith the maturity of AI algorithms\, in
 creased computing power and explosive growth of data\, manual labor has be
 come a GPT technology that will Will Drive Social Development Profoundly. 
 AI will also serve as an important technology\, cooperating with HPC\, sho
 wing its prominence in scientific research in various fields.\n\nhttps://e
 vents.chpc.ac.za/event/84/contributions/1380/
LOCATION:
URL:https://events.chpc.ac.za/event/84/contributions/1380/
END:VEVENT
BEGIN:VEVENT
SUMMARY:Road Map and Action Plan on Outcomes of the 10th  SADC Cyber-Infra
 structure Experts Meeting and next meeting 2021
DTSTART;VALUE=DATE-TIME:20201201T135000Z
DTEND;VALUE=DATE-TIME:20201201T141000Z
DTSTAMP;VALUE=DATE-TIME:20260307T150115Z
UID:indico-contribution-84-1378@events.chpc.ac.za
DESCRIPTION:Road Map and Action Plan on Outcomes of the 10th SADC Cyber-In
 frastructure Experts Meeting and next meeting 2021\n\nhttps://events.chpc.
 ac.za/event/84/contributions/1378/
LOCATION:
URL:https://events.chpc.ac.za/event/84/contributions/1378/
END:VEVENT
BEGIN:VEVENT
SUMMARY:Update and progress on Weather and Climate project
DTSTART;VALUE=DATE-TIME:20201201T124500Z
DTEND;VALUE=DATE-TIME:20201201T130000Z
DTSTAMP;VALUE=DATE-TIME:20260307T150115Z
UID:indico-contribution-84-1376@events.chpc.ac.za
DESCRIPTION:Speakers: Mary-Jane Bopape (South African Weather Service)\nUp
 date and progress on Weather and Climate project: \n\nDr Mary-Jane\, Chief
  Scientist\, South African Weather Service\n\nhttps://events.chpc.ac.za/ev
 ent/84/contributions/1376/
LOCATION:
URL:https://events.chpc.ac.za/event/84/contributions/1376/
END:VEVENT
BEGIN:VEVENT
SUMMARY:Role of Cyber-Infrastructure in responding to COVID-19 (HPC and NR
 eNs) – Botswana\, South Africa\, and Zambia
DTSTART;VALUE=DATE-TIME:20201201T120000Z
DTEND;VALUE=DATE-TIME:20201201T124500Z
DTSTAMP;VALUE=DATE-TIME:20260307T150115Z
UID:indico-contribution-84-1375@events.chpc.ac.za
DESCRIPTION:Speakers: Anicia Peters (Namibia)\, Happy Sithole (CHPC)\, Lou
 rino Chemane (Mozambique)\, Stein Mkandawire (Zambia)\nRole of Cyber-Infra
 structure in responding to COVID-19 (HPC and NReNs)\n\nMr Lourino Chemane-
  Mozambique\,  \nProf Anicia Peters-Namibia\, \nDr Happy Sithole-South Afr
 ica\, \nand Mr Stein Mkandawire- Zambia\n\nhttps://events.chpc.ac.za/event
 /84/contributions/1375/
LOCATION:
URL:https://events.chpc.ac.za/event/84/contributions/1375/
END:VEVENT
BEGIN:VEVENT
SUMMARY:Discussions
DTSTART;VALUE=DATE-TIME:20201201T105500Z
DTEND;VALUE=DATE-TIME:20201201T111500Z
DTSTAMP;VALUE=DATE-TIME:20260307T150115Z
UID:indico-contribution-84-1374@events.chpc.ac.za
DESCRIPTION:Discussions\n\nhttps://events.chpc.ac.za/event/84/contribution
 s/1374/
LOCATION:
URL:https://events.chpc.ac.za/event/84/contributions/1374/
END:VEVENT
BEGIN:VEVENT
SUMMARY:Update on establishment of SADC University of Transformation- SADC
  Secretariat
DTSTART;VALUE=DATE-TIME:20201201T104000Z
DTEND;VALUE=DATE-TIME:20201201T105500Z
DTSTAMP;VALUE=DATE-TIME:20260307T150115Z
UID:indico-contribution-84-1373@events.chpc.ac.za
DESCRIPTION:Speakers: Martin Oosthuizen (Southern African Regional Univers
 ity Associations)\nUpdate on establishment of SADC University of Transform
 ation- \n\nProf Martin  Oosthuizen\, Southern African Regional University 
 Associations\n\nhttps://events.chpc.ac.za/event/84/contributions/1373/
LOCATION:
URL:https://events.chpc.ac.za/event/84/contributions/1373/
END:VEVENT
BEGIN:VEVENT
SUMMARY:Presentation on Status of Open and Distance Learning in SADC impli
 cations of COVID-19 and future of digitation
DTSTART;VALUE=DATE-TIME:20201201T101500Z
DTEND;VALUE=DATE-TIME:20201201T104000Z
DTSTAMP;VALUE=DATE-TIME:20260307T150115Z
UID:indico-contribution-84-1372@events.chpc.ac.za
DESCRIPTION:Speakers: Carloyn Medel-Anonuevo (UNESCO)\, Jako Olivier (UNES
 CO Chair on Multimodal Learning and Open Educational Resources )\nPresenta
 tion on Status of Open and Distance Learning in SADC implications of COVID
 -19 and future of digitation \n\nUNESCO Ms Carloyn  Medel-Anonuevo \nand \
 nProf Jako Olivier UNESCO Chair  on Multimodal Learning and Open Education
 al Resources\n\nhttps://events.chpc.ac.za/event/84/contributions/1372/
LOCATION:
URL:https://events.chpc.ac.za/event/84/contributions/1372/
END:VEVENT
BEGIN:VEVENT
SUMMARY:Progress report on implementation of SADC Cyber-Infrastructure Fra
 mework
DTSTART;VALUE=DATE-TIME:20201201T093000Z
DTEND;VALUE=DATE-TIME:20201201T094500Z
DTSTAMP;VALUE=DATE-TIME:20260307T150115Z
UID:indico-contribution-84-1371@events.chpc.ac.za
DESCRIPTION:Speakers: Happy Sithole (CHPC)\nProgress report on implementat
 ion of SADC Cyber-Infrastructure Framework \, Dr Happy Sithole\, South Afr
 ica\n\nhttps://events.chpc.ac.za/event/84/contributions/1371/
LOCATION:
URL:https://events.chpc.ac.za/event/84/contributions/1371/
END:VEVENT
BEGIN:VEVENT
SUMMARY:SADC Secretariat
DTSTART;VALUE=DATE-TIME:20201201T091500Z
DTEND;VALUE=DATE-TIME:20201201T093000Z
DTSTAMP;VALUE=DATE-TIME:20260307T150115Z
UID:indico-contribution-84-1369@events.chpc.ac.za
DESCRIPTION:Speakers: Anneline Morgan (SADC Secretariat)\nMs Anneline Morg
 an\, SADC Secretariat:\n\n    • Record of the 9th SADC Cyber-Infrastruct
 ure Technical Experts meeting held in December 2019 Johannesburg\, South A
 frica \n\n    • Background\, expectations and outcomes of meeting\n\nhtt
 ps://events.chpc.ac.za/event/84/contributions/1369/
LOCATION:
URL:https://events.chpc.ac.za/event/84/contributions/1369/
END:VEVENT
BEGIN:VEVENT
SUMMARY:Welcome and Opening:
DTSTART;VALUE=DATE-TIME:20201201T090000Z
DTEND;VALUE=DATE-TIME:20201201T091500Z
DTSTAMP;VALUE=DATE-TIME:20260307T150115Z
UID:indico-contribution-84-1368@events.chpc.ac.za
DESCRIPTION:Speakers: Alberto Tonela (Mozambique)\nWelcome and Opening:\n 
    • Welcome remarks SADC Chair\, Mr Alberto Tonela\, Mozambique\n    
 • Remarks by Ms Anneline Morgan\, SADC Secretariat\n\nhttps://events.chp
 c.ac.za/event/84/contributions/1368/
LOCATION:
URL:https://events.chpc.ac.za/event/84/contributions/1368/
END:VEVENT
BEGIN:VEVENT
SUMMARY:Industry Crossfire: Vendor Panel Discussions
DTSTART;VALUE=DATE-TIME:20201130T161500Z
DTEND;VALUE=DATE-TIME:20201130T171500Z
DTSTAMP;VALUE=DATE-TIME:20260307T150115Z
UID:indico-contribution-84-1367@events.chpc.ac.za
DESCRIPTION:Speakers: Addison Snell (Intersect360 Research)\, Dan Olds (Or
 ionX)\nhttps://events.chpc.ac.za/event/84/contributions/1367/
LOCATION:
URL:https://events.chpc.ac.za/event/84/contributions/1367/
END:VEVENT
BEGIN:VEVENT
SUMMARY:Industry Crossfire: HPC Market Overview and SC20 Reactions
DTSTART;VALUE=DATE-TIME:20201130T154500Z
DTEND;VALUE=DATE-TIME:20201130T161500Z
DTSTAMP;VALUE=DATE-TIME:20260307T150115Z
UID:indico-contribution-84-1366@events.chpc.ac.za
DESCRIPTION:Speakers: Addison Snell (Intersect360 Research)\nAddison Snell
  of Intersect360 Research will give an overview of HPC market trends and f
 orecasts\, including the complete (sometimes hidden) dynamics of cloud com
 puting\, the near- and long-term industry effects of COVID-19\, and reacti
 ons from SC20.\n\nhttps://events.chpc.ac.za/event/84/contributions/1366/
LOCATION:
URL:https://events.chpc.ac.za/event/84/contributions/1366/
END:VEVENT
BEGIN:VEVENT
SUMMARY:NVIDIA Mellanox InfiniBand In-Network Computing
DTSTART;VALUE=DATE-TIME:20201201T101500Z
DTEND;VALUE=DATE-TIME:20201201T104500Z
DTSTAMP;VALUE=DATE-TIME:20260307T150115Z
UID:indico-contribution-84-1364@events.chpc.ac.za
DESCRIPTION:Speakers: Gilad Shainer (Nvidia)\nAccelerating scientific Comp
 uting and deep learning applications with NVIDIA Mellanox In-Network Compu
 ting engines.\n\nhttps://events.chpc.ac.za/event/84/contributions/1364/
LOCATION:
URL:https://events.chpc.ac.za/event/84/contributions/1364/
END:VEVENT
BEGIN:VEVENT
SUMMARY:Accelerating HPC+AI science workflows using NVIDIA GPU
DTSTART;VALUE=DATE-TIME:20201130T131500Z
DTEND;VALUE=DATE-TIME:20201130T134500Z
DTSTAMP;VALUE=DATE-TIME:20260307T150115Z
UID:indico-contribution-84-1318@events.chpc.ac.za
DESCRIPTION:Speakers: Gunter  Röth (NVIDIA SA)\nNVIDIA has early identifi
 ed the promising HPC – AI convergence trend and has been working on enab
 ling it. The growing adoption of NVIDIA Ampere GPU by the Top 500 Supercom
 puters highlights the need of computing acceleration for this HPC & AI con
 vergence. Many projects today demonstrate the benefit of AI for HPC\, in t
 erms of accuracy and time to solution\, in many domains such as Computatio
 nal Mechanics (Computational Fluid Mechanics\, Solid Mechanics…)\, Earth
  Sciences (Climate\, Weather and Ocean Modelling)\, Life Sciences (Genomic
 s\, Proteomics…)\, Computational Chemistry (Quantum Chemistry\, Molecula
 r Dynamics…)\, Computational Physics. NVIDIA today for instance\, uses P
 hysics Informed Neural Networks for the heat sink design in our DGX system
 .\n\nhttps://events.chpc.ac.za/event/84/contributions/1318/
LOCATION:
URL:https://events.chpc.ac.za/event/84/contributions/1318/
END:VEVENT
BEGIN:VEVENT
SUMMARY:Keynote 2: Accelerate Insights with AI and HPC combined
DTSTART;VALUE=DATE-TIME:20201130T101500Z
DTEND;VALUE=DATE-TIME:20201130T111500Z
DTSTAMP;VALUE=DATE-TIME:20260307T150115Z
UID:indico-contribution-84-1363@events.chpc.ac.za
DESCRIPTION:Speakers: Stephan Gillich (Intel)\nWe have seen several transf
 ormational waves in computing over the last few decades\, and AI is a key 
 one. It has significant impact in many research and industrial areas enabl
 ing users to get actionable insight from data.  \n\nInsights from numerica
 l simulation and modeling -  commonly labeled as “HPC”  was also one o
 f the important developments in the last two decades – and is an area wh
 ich has overlap with AI:  Key questions are: Can you use AI methods to aug
 ment the simulation and modeling applications?  – how can you run AI app
 lications on HPC Systems efficiently?\n\nIn this presentation we will addr
 ess those questions and give an overview of respective technology\, includ
 ing hardware platforms & software stacks with a special focus on how to en
 able successful development of solutions. This will also be illustrated wi
 th examples of use cases.\n\nhttps://events.chpc.ac.za/event/84/contributi
 ons/1363/
LOCATION:
URL:https://events.chpc.ac.za/event/84/contributions/1363/
END:VEVENT
BEGIN:VEVENT
SUMMARY:Artificial Techniques in Pharmaceuticals and Drug Discovery
DTSTART;VALUE=DATE-TIME:20201201T123000Z
DTEND;VALUE=DATE-TIME:20201201T130000Z
DTSTAMP;VALUE=DATE-TIME:20260307T150115Z
UID:indico-contribution-84-1362@events.chpc.ac.za
DESCRIPTION:Speakers: Adnan Khaleel (Dell)\nIn spite of all the recent adv
 ances in biochemistry and several associated areas\, pharmaceutical drug d
 iscovery is still notoriously difficult to do\, with lives literally at st
 ake. A typical drug interacts with 300 other enzymes and processes within 
 the human body\, and a drug has to pass with minimal disruptions to all of
  these processes in order to deemed safe. Nearly 90% of all targeted drugs
  fail in Phase 1 of the clinical trials\, but today\, with AI\, we’re fi
 nding ways to improve our chances of success. In some cases\, AI can creat
 e designer molecules that are already screened for previous toxicity and h
 old the promise to drastically reduce the time to creation of new drugs. I
 n this talk\, I’ll be giving a very brief overview of the various AI tec
 hniques that are currently being used today.\n\nhttps://events.chpc.ac.za/
 event/84/contributions/1362/
LOCATION:
URL:https://events.chpc.ac.za/event/84/contributions/1362/
END:VEVENT
BEGIN:VEVENT
SUMMARY:Keynote 1:  From Centralized Hyperscale to Edge Cloud and Edge AI
DTSTART;VALUE=DATE-TIME:20201130T092000Z
DTEND;VALUE=DATE-TIME:20201130T100000Z
DTSTAMP;VALUE=DATE-TIME:20260307T150115Z
UID:indico-contribution-84-1337@events.chpc.ac.za
DESCRIPTION:Speakers: Andile Ngcaba (Convergence Partners Investments)\nht
 tps://events.chpc.ac.za/event/84/contributions/1337/
LOCATION:
URL:https://events.chpc.ac.za/event/84/contributions/1337/
END:VEVENT
BEGIN:VEVENT
SUMMARY:Development and application of climate models over Africa using th
 e CHPC
DTSTART;VALUE=DATE-TIME:20201201T101500Z
DTEND;VALUE=DATE-TIME:20201201T104500Z
DTSTAMP;VALUE=DATE-TIME:20260307T150115Z
UID:indico-contribution-84-1360@events.chpc.ac.za
DESCRIPTION:Speakers: Babatunde Abiodun (University of Cape Town)\nClimate
  models are valuable tools for understanding the intricacy of climate syst
 em\, simulating past climate\, and projecting future changes in climate. T
 he models are increasingly being used to provide information for climate c
 hange mitigation and adaptation strategies. Yet\, climate modelling is lag
 ging behind in Africa because of the many challenges\, including computati
 onal constraints. The climate models\, which use a set of equations (deriv
 ed from physical\, chemical\, biological laws) to replicate the climate sy
 stems\, are usually computationally intensive. Operating them requires hug
 e computer resources\, which are not available in most climate research in
 stitutions in the Africa. However\, the Climate System Analysis Group (CSA
 G\, University of Cape Town) has been active in climate model development 
 and application over Africa because of its access to the CSIR CHPC. The gr
 oup also uses the facility for building human capacity in climate modellin
 g. For example\, using the CHPC\, the group lead the development of an ada
 ptive-grid global climate model (called CAM-EULAG)\, which has the capacit
 y to increase its horizontal resolution locally over Africa. The model has
  been successfully applied to simulate West African climate\, Southern Afr
 ican climate\, and tropical cyclones over the South-West Indian Ocean. Thr
 ee postgraduate students have been trained and graduated on the model. Apa
 rt from CAM-EULAG\, the group also runs other models like RegCM\, WRF\, WR
 F-Chem\, MPAS\, SPEEDY\, ECOCROP on the CHPC. This presentation will highl
 ight some results from climate modelling activities in the group.\n\nhttps
 ://events.chpc.ac.za/event/84/contributions/1360/
LOCATION:
URL:https://events.chpc.ac.za/event/84/contributions/1360/
END:VEVENT
BEGIN:VEVENT
SUMMARY:Budgets and Allocation in HPC
DTSTART;VALUE=DATE-TIME:20201201T104500Z
DTEND;VALUE=DATE-TIME:20201201T111500Z
DTSTAMP;VALUE=DATE-TIME:20260307T150115Z
UID:indico-contribution-84-1359@events.chpc.ac.za
DESCRIPTION:Speakers: Ian Littlewood (Altair Engineering Ltd)\nBudgets and
  management of allocations in an HPC are valuable tools that manage user b
 ehavior and the real costs associated with running an HPC either on premis
 e or in the cloud.  This talk will explain how Altair PBS Professional 202
 0.1 deliver these tools and will briefly demonstrate how simple and robust
  they are in use.\n\nhttps://events.chpc.ac.za/event/84/contributions/1359
 /
LOCATION:
URL:https://events.chpc.ac.za/event/84/contributions/1359/
END:VEVENT
BEGIN:VEVENT
SUMMARY:High-performance computing in the era of genomics
DTSTART;VALUE=DATE-TIME:20201201T120000Z
DTEND;VALUE=DATE-TIME:20201201T123000Z
DTSTAMP;VALUE=DATE-TIME:20260307T150115Z
UID:indico-contribution-84-1358@events.chpc.ac.za
DESCRIPTION:Speakers: Arsalan Emami-Khoyi (University of Johannesburg)\nRe
 cent advances in DNA sequencing technology and high throughput computation
  have revolutionised the field of biology. In modern biology\, DNA strands
  that contain the recipe for making an organism are considered as long str
 ings of coded data that need to be treated in the same way as multi-dimens
 ional data in computer science. The scale of data that biologists need to 
 analyse confronts them with a new set of challenges\, for which most of th
 em have not received adequate training. In this presentation\, I demonstra
 te some of the HPC pipelines used by the Centre for Ecological Genomics an
 d Wildlife Conservation to assemble genomic data\, reconstruct evolutionar
 y relationships between organisms\, and investigate the functional signifi
 cance of biological data. Having access to HPC resources in South Africa i
 s helping the country’s biologists to overcome these challenges and ente
 r a new era in the biological science. We advocate for a close and multidi
 sciplinary collaboration between biologists\, computer scientists and othe
 r stakeholders to better prepare academia for a smooth transition into the
  new era. Such collaboration will have positive impacts on the country's e
 conomy\, public health and ecological diversity that goes beyond the field
  of biology.\n\nhttps://events.chpc.ac.za/event/84/contributions/1358/
LOCATION:
URL:https://events.chpc.ac.za/event/84/contributions/1358/
END:VEVENT
BEGIN:VEVENT
SUMMARY:Opening & Announcements
DTSTART;VALUE=DATE-TIME:20201130T083000Z
DTEND;VALUE=DATE-TIME:20201130T084000Z
DTSTAMP;VALUE=DATE-TIME:20260307T150115Z
UID:indico-contribution-84-1356@events.chpc.ac.za
DESCRIPTION:Speakers: Werner Janse Van Rensburg (CHPC)\nhttps://events.chp
 c.ac.za/event/84/contributions/1356/
LOCATION:
URL:https://events.chpc.ac.za/event/84/contributions/1356/
END:VEVENT
BEGIN:VEVENT
SUMMARY:Keynote 6: HPC – the Point of the Spear
DTSTART;VALUE=DATE-TIME:20201202T143000Z
DTEND;VALUE=DATE-TIME:20201202T153000Z
DTSTAMP;VALUE=DATE-TIME:20260307T150115Z
UID:indico-contribution-84-1345@events.chpc.ac.za
DESCRIPTION:Speakers: Thomas Sterling (Indiana University)\nAt no time in 
 the seven decades-long history of the field of supercomputing has there be
 en a year like this. 2020 has been at the edge of a world-wide disaster wi
 th HPC being brought to the battle against Covid-19 in a planetary respons
 e unmatched in its history. At this moment of international cooperation in
  our field to vanquish a pandemic that has killed more than a million inno
 cent victims\, the same technology is on the threshold of the unprecedente
 d achievement of 1 Exaflops (Rmax) performance as measured for more than t
 wo dozen years by the Linpack benchmark. A capability of a million million
  million floating point operations per second has stretched the creativity
  and technologies to its limits as the application of nano-scale semicondu
 ctor fabrication processes both will deliver Exascale computing even as it
  demands revolutionary innovations at the end of Moore’s Law. This prese
 ntation\, unique in the annals of the CHPC conference due to its virtual f
 orm\, will examine the dramatic role that HPC is playing in combatting thi
 s pandemic as it approaches the era of Exascale and faces the daunting cha
 llenges and opportunities to wielding revolutionary concepts\, still in th
 eir inchoate stages of development\, to anticipate the immediate singulari
 ty and future directions of supercomputing.\n\nhttps://events.chpc.ac.za/e
 vent/84/contributions/1345/
LOCATION:
URL:https://events.chpc.ac.za/event/84/contributions/1345/
END:VEVENT
BEGIN:VEVENT
SUMMARY:Keynote 5: Integrated Approach to Enabling Digital Transformation 
 of the Education Sector
DTSTART;VALUE=DATE-TIME:20201201T154500Z
DTEND;VALUE=DATE-TIME:20201201T164500Z
DTSTAMP;VALUE=DATE-TIME:20260307T150115Z
UID:indico-contribution-84-1342@events.chpc.ac.za
DESCRIPTION:Speakers: Matthews Mtumbuka (UbuntuNet Alliance)\nThe advent o
 f the Covid-19 pandemic has exposed the need for secure and reliable cyber
 infrastructure to support research and education. The reality however is t
 hat while selected players in the education sector have made commendable p
 rogress in terms of building\, maintaining and upgrading such kind of infr
 astructure\, many critical players are still struggling to access and buil
 d cyberinfrastructure that can position them as value adding contributors 
 to digital transformation. National Research and Education Networks (NRENs
 ) within the UbuntuNet Alliance region are not spared from this disadvanta
 ge. To address this gap\, UbuntuNet Alliance\, the Regional  Research and 
 Education Network of Southern and Eastern Africa has been undertaking vari
 ous initiatives with various partners including sister RRENs\, development
  partners and NREN members to create an enabling environment for the build
 ing and deployment of  reliable cyberinfrastructure that can ably support 
 digital transformation. With this integrated approach\, the Alliance has m
 anaged to provide a platform under which NRENs are building own cyberinfra
 structure like cloud infrastructure\, learning management systems and web 
 conferencing platforms. The Alliance is also deploying\, within its region
 \, tools and services critical for digital transformation. These include e
 duroam\, eduID and engineer capacity-building services. In addition\, the 
 Alliance is encouraging strategic partnerships between NREN members and te
 lecom companies. Through such partnerships\, NREN members are able to brok
 er zero rating deals\, data bundle price reductions for university student
 s and staff and in some cases get into cost-effective sharing of existing 
 infrastructure with the telecom companies.     \n\n**Keywords:** Cyberinfr
 astructure\,  Digital Transformation\, Research and Education Networks\n\n
 https://events.chpc.ac.za/event/84/contributions/1342/
LOCATION:
URL:https://events.chpc.ac.za/event/84/contributions/1342/
END:VEVENT
BEGIN:VEVENT
SUMMARY:Sustainable management of remotely sensed Earth Observation  Data:
  A case for High Performing Computing and Big Data platform development in
  Kenya
DTSTART;VALUE=DATE-TIME:20201201T134500Z
DTEND;VALUE=DATE-TIME:20201201T141500Z
DTSTAMP;VALUE=DATE-TIME:20260307T150115Z
UID:indico-contribution-84-1329@events.chpc.ac.za
DESCRIPTION:Speakers: Boniface Akuku (Kenya Agricultural and Livestock Res
 earch Organization)\n**Author/Presenter:** Boniface Akuku\, Director\, Inf
 ormation and Communication Technology at the Kenya Agricultural Research a
 nd Livestock Organization(KALRO)\n\nThe pressure to manage and utilize ava
 ilable data to improve agricultural productivity continues to increase\, y
 et several challenges exist. The fast-growing population exacerbates the p
 roblem in a period of environmental variability. While remotely sensed Ear
 th Observations (EO) data could resolve these environmental issues\, the a
 vailability of High-Performance Computing (HPC) to take advantage of freel
 y and openly accessible repositories remains a challenge to organizations.
  As a result\, many organizations have not realized the full potential of 
 EO data.  Besides\, the freely and openly available EO data remains underu
 tilized\, mainly because of their complexity\, increasing volume\, and the
  lack of efficient processing capabilities. Data Cubes (DC) technology is 
 a new paradigm aiming to realize EO data's full potential by lowering the 
 barriers caused by these Big Data challenges and providing access to exten
 sive Spatio-temporal data in an analysis-ready form. Using the Kenya Data 
 Cube platform as a case study\, this paper presents HPC and Big Data integ
 ration as an approach to enabling rapid access and processing of EO data. 
 This approach has shown that generating Analysis-Ready Data (ARD) for deve
 loping countries can address agricultural productivity needs\, but decisio
 n-makers must invest in HPC and related technologies as a priority area. T
 herefore\, researchers and universities can use and explore the data cubes
  produced to advance new methods and algorithms to extract different infor
 mation to address the host challenges facing agricultural productivity in 
 developing countries. \n\nThey still remain underutilized\, mainly because
  of their complexity\, increasing volume\, and the lack of efficient proce
 ssing capabilities.\n\nhttps://events.chpc.ac.za/event/84/contributions/13
 29/
LOCATION:
URL:https://events.chpc.ac.za/event/84/contributions/1329/
END:VEVENT
BEGIN:VEVENT
SUMMARY:CODATA-RDA Data Summer School - annual event for early career rese
 archers
DTSTART;VALUE=DATE-TIME:20201201T131500Z
DTEND;VALUE=DATE-TIME:20201201T134500Z
DTSTAMP;VALUE=DATE-TIME:20260307T150115Z
UID:indico-contribution-84-1326@events.chpc.ac.za
DESCRIPTION:Speakers: Bianca Peterson (University of North West)\nThe firs
 t Summer School took place in Pretoria during January 2020. The talk will 
 report on our experience and also share the process going forward.\n \nPos
 tgraduates across Africa do not have access to foundational data science a
 nd open research training that will allow them to become part of a growing
  community of researchers\, if not fully skilled\, at least understanding 
 the rules of entering the arena of modern\, open science. Such training ma
 terial is available but the curriculum has not yet been decentralised and 
 localised for Africa because it is not clearly understood where to place t
 he hubs of knowledge from where the training could be disseminated. There 
 is general consensus that introductory level data science training is esse
 ntial for all research disciplines – to the extent that some of us see i
 t as an element of the digital literacies. South Africa did not\, at the t
 ime of us adopting the curriculum\, see any institution taking on a mandat
 e to provide such training. From our RDM implementation experience we also
  knew that it would be a while before generic training\, that would put an
 y post-graduate on a reliable path to understanding the data science ecosy
 stem\, would be developed in South Africa. We understood that to gain a ho
 listic view of what is needed as foundation training\, requires a number o
 f stakeholders to collaborate. The challenge was that there were too many 
 issues to address simultaneously if we wanted to start from scratch. The c
 urriculum of the CODATA-RDA Data Summer School was identified as suitable 
 for our context. The most important benefit of using the standardised curr
 iculum is that we were able to leapfrog from an existing\, tried and prove
 n initiative – which saved us considerable time. In addition\, the knowl
 edge that the training is also being rolled out to an international commun
 ity gave us the assurance that we were on the right track. The alumni netw
 ork linked to the initiative is another very important benefit. Our candid
 ates were immediately pulled into a professional network that would\, unde
 r different circumstances take many years to develop. Similarly\, the expo
 sure to peers from different disciplines has created shared jargon and exp
 erience that we firmly believe will show impact in future.\n\nhttps://even
 ts.chpc.ac.za/event/84/contributions/1326/
LOCATION:
URL:https://events.chpc.ac.za/event/84/contributions/1326/
END:VEVENT
BEGIN:VEVENT
SUMMARY:Digital Literacy Frameworks – The Underlying Data Principles
DTSTART;VALUE=DATE-TIME:20201201T123000Z
DTEND;VALUE=DATE-TIME:20201201T130000Z
DTSTAMP;VALUE=DATE-TIME:20260307T150115Z
UID:indico-contribution-84-1330@events.chpc.ac.za
DESCRIPTION:Speakers: Isak van der Walt (University of Pretoria)\nHistoric
 ally\, information literacy formed a critical core function in the process
  of teaching\, learning and research. The concepts of information retrieva
 l\, processing and verification became synonymous throughout the research 
 lifecycle. Today however information literacy has expanded to accommodate 
 the vast possibilities of teaching\, learning and research afforded by the
  advances in technology. Every possible discipline and process has been af
 fected by information technology\, whether it is the enhancement\, replace
 ment or augmentation thereof. Underlying the majority of these technologie
 s is the formation\, gathering and processing of data. To understand and o
 perate in this new environment that researchers\, students and lecturers f
 ind themselves in there needs to be a certain level of digital literacy ca
 pacity that will allow participants to build and advance existing literaci
 es.\n\nWithin most digital literacy frameworks\, the topic of data\, data 
 management\, data processing and content creation is a common thread which
  highlights the importance of understanding data and how to function in a 
 digital world. The purpose of this presentation is to highlight the import
 ance of data as an underlying theme across the multiple categories within 
 digital literacy frameworks. The presentation will also look at the propos
 ed Digital Literacy Framework for the University of Pretoria and the appro
 ach to assist in enhancing the digital literacy profile of not only the li
 brary but also general academic and research community. The proposed frame
 work will look into the following categories:\n\n 1. Information gathering
  & Data Management\n 2. Communication and Collaboration\n 3. Content Creat
 ion\n 4. Protection\, Privacy and Security\n 5. Digital Environment\n\nIn 
 line with the framework the presentation will also focus on how digital li
 teracy is assessed and how the outcome assists to further develop training
  programs to enhance the various elements.\n\nhttps://events.chpc.ac.za/ev
 ent/84/contributions/1330/
LOCATION:
URL:https://events.chpc.ac.za/event/84/contributions/1330/
END:VEVENT
BEGIN:VEVENT
SUMMARY:Implementation of data standards for African genomics data by H3AB
 ioNet
DTSTART;VALUE=DATE-TIME:20201201T120000Z
DTEND;VALUE=DATE-TIME:20201201T123000Z
DTSTAMP;VALUE=DATE-TIME:20260307T150115Z
UID:indico-contribution-84-1324@events.chpc.ac.za
DESCRIPTION:Speakers: Sumir Panji (H3ABioNet / CBIO / UCT)\nThe reducing c
 ost of genomic data generation has outpaced Moore’s Law resulting in man
 y countries starting national genomic initiatives to better represent thei
 r populations and create the foundations for precision medicine programs. 
 Programs such as H3Africa seek to generate and leverage genomic data for s
 pecific health related research within diverse African populations. Genomi
 c data\, unlike biological samples\, is captured and stored digitally\, an
 d copies of these data can indefinitely be provided to multiple researcher
 s for use in multiple studies. \n\nIn order for genomics data to be integr
 ated and be used meaningfully by the scientific community\, standardized a
 ttributes that define its collection provenance\, rich meta-data and condi
 tions of use need to be explicitly provided. H3ABioNet\, a Pan-African Bio
 informatics Network to support the H3Africa program\, has been working on 
 developing various standards such as Case Reporting Forms for phenotype co
 llection provided as REDCap instruments and mapped to ontologies. Working 
 with international initiatives such as the Global Alliance for Genome Heal
 th (GA4GH)\, H3ABioNet is contributing to the adoption and refinement of s
 tandards such as the Data Use Ontology for H3Africa genomics data. To faci
 litate the ease of finding African specific genomic and genetic variation 
 datasets\, an African Microbiome portal and an African Precision Medicine 
 portal are being created by H3ABioNet that curate African specific data fr
 om various sources for inclusion in these portals. An African Genome Varia
 tion Database using Open CGA standards to house H3Africa specific data is 
 being created for research groups with specific focus areas such as rare d
 iseases. Genomic data processing and curation for African COVD-19 is being
  undertaken by network members and data submitted to the international GIS
 AID platform. \n\nVarious outputs from different H3ABioNet projects are be
 ing assessed for Findable\, Accessible\, Interoperable and Reusable (FAIR)
  standards and what is required for these outputs to be FAIR such as the a
 doption of Bioschemas for training materials and versioning of code. Creat
 ion of a robust data ecosystem that utilizes established standards require
 s human capacity to be developed. H3ABioNet has been providing a series of
  data management planning training workshops to H3Africa personnel and stu
 dents to enable better planning and preservation of research outputs.\n\nh
 ttps://events.chpc.ac.za/event/84/contributions/1324/
LOCATION:
URL:https://events.chpc.ac.za/event/84/contributions/1324/
END:VEVENT
BEGIN:VEVENT
SUMMARY:Trusted digital repository certification with Core Trust Seal:  th
 e ilifu experience from consortial collaboration to sustainable service.
DTSTART;VALUE=DATE-TIME:20201201T104500Z
DTEND;VALUE=DATE-TIME:20201201T111500Z
DTSTAMP;VALUE=DATE-TIME:20260307T150115Z
UID:indico-contribution-84-1328@events.chpc.ac.za
DESCRIPTION:Speakers: Dale Peters (University of Cape Town)\, Niklas Zimme
 r (University of Cape Town)\nFunders of repositories and those who entrust
  their valuable data to them need to know whether their funds and their co
 nfidence are well placed.  Stakeholder concerns are addressed in the inter
 national standard measure applied to the repository as being worthy of tru
 st.   While trust is a complicated concept\, the meaning applicable here i
 s that of a confident expectation that the data will be well managed and c
 ontinue to be accessible over a “long” period of time. This paper will
  examine the path to trusted digital repository certification\, as experie
 nced by the research data management (RDM) project partners of the ilifu c
 onsortium.\n\nhttps://events.chpc.ac.za/event/84/contributions/1328/
LOCATION:
URL:https://events.chpc.ac.za/event/84/contributions/1328/
END:VEVENT
BEGIN:VEVENT
SUMMARY:Data Intensive Time-Domain Astronomy with MeerKAT and the SKA
DTSTART;VALUE=DATE-TIME:20201201T101500Z
DTEND;VALUE=DATE-TIME:20201201T104500Z
DTSTAMP;VALUE=DATE-TIME:20260307T150115Z
UID:indico-contribution-84-1327@events.chpc.ac.za
DESCRIPTION:Speakers: Patrick Woudt (University of Cape Town)\nIn July 201
 8\, MeerKAT started its science mission. One of the 5-year legacy programs
  on MeerKAT is the ThunderKAT large survey project which aims to understan
 d the astrophysical processes in stellar explosions and other energetic ou
 tbursts in the sky. In these objects\, dramatic changes can occur on very 
 short time scales. In this talk\, I will highlight the data challenges of 
 data intensive time-domain radio astronomy. I will give some examples of o
 ur experience over the last two years in the rapid analysis and astrophysi
 cal interpretation of large MeerKAT data sets on the Ilifu research cloud.
  As a global collaborative research project involving around 100 researche
 rs\, including many postgraduate students from South Africa and African SK
 A partner countries\, the Ilifu research cloud is an invaluable resource t
 o bring the researchers to the MeerKAT research data. I will highlight som
 e of the lessons learned so far\, and will look ahead towards the SKA.\n\n
 https://events.chpc.ac.za/event/84/contributions/1327/
LOCATION:
URL:https://events.chpc.ac.za/event/84/contributions/1327/
END:VEVENT
BEGIN:VEVENT
SUMMARY:Welcome: National Integrated Cyber Infrastructure System (NICIS)
DTSTART;VALUE=DATE-TIME:20201130T090000Z
DTEND;VALUE=DATE-TIME:20201130T092000Z
DTSTAMP;VALUE=DATE-TIME:20260307T150115Z
UID:indico-contribution-84-1336@events.chpc.ac.za
DESCRIPTION:Speakers: Happy Sithole (CHPC)\nhttps://events.chpc.ac.za/even
 t/84/contributions/1336/
LOCATION:
URL:https://events.chpc.ac.za/event/84/contributions/1336/
END:VEVENT
BEGIN:VEVENT
SUMMARY:Welcome: Department of Science and Innovation (DSI)
DTSTART;VALUE=DATE-TIME:20201130T084000Z
DTEND;VALUE=DATE-TIME:20201130T090000Z
DTSTAMP;VALUE=DATE-TIME:20260307T150115Z
UID:indico-contribution-84-1335@events.chpc.ac.za
DESCRIPTION:Speakers: Daniel Adams (Department of Science and Innovation)\
 nhttps://events.chpc.ac.za/event/84/contributions/1335/
LOCATION:
URL:https://events.chpc.ac.za/event/84/contributions/1335/
END:VEVENT
BEGIN:VEVENT
SUMMARY:Stories from the Front Lines: The Good\, Bad\, and Ugly of Buildin
 g an Opensource Distributed Platform for Scientific Compute: Software\, Ha
 rdware\, and Community
DTSTART;VALUE=DATE-TIME:20201130T123000Z
DTEND;VALUE=DATE-TIME:20201130T130000Z
DTSTAMP;VALUE=DATE-TIME:20260307T150115Z
UID:indico-contribution-84-1331@events.chpc.ac.za
DESCRIPTION:Speakers: Rudolph Pienaar (Boston Children's Hospital)\nIn thi
 s talk I'll provide some stories from leading the ChRIS computing\neffort 
 (https://chrisproject.org) over several years as it grew from\nsimple scri
 pts that ran neuro-MRI analysis programs in a small lab to a\ndistributed 
 container based platform that is both cloud and HPC ready\nand currently a
 ctively supported by Red Hat\, Inc\, and their OpenShift\nplatform for clo
 ud computing.\n\nWhile providing conceptual overviews of the system archit
 ecture\, I will\nfocus specifically on how choices in programming language
 \, frameworks\,\narchitecture\, documentation\, github and more all played
  out -- the\ngood\, the bad\, and the ugly.\n\nI'll touch on how these cho
 ices impact portability across computing\narchitectures -- including Power
 PC and of course upcoming ARM\narchitectures in Apple consumer products.\n
 \nFinally\, I'll talk about the complexity in fostering community about\ng
 rowing open source scientific projects with some insights into some of\nth
 e pitfalls and highlights.\n\nhttps://events.chpc.ac.za/event/84/contribut
 ions/1331/
LOCATION:
URL:https://events.chpc.ac.za/event/84/contributions/1331/
END:VEVENT
BEGIN:VEVENT
SUMMARY:Configuring the Kaldi ASR toolkit for the Lengau Cluster
DTSTART;VALUE=DATE-TIME:20201130T120000Z
DTEND;VALUE=DATE-TIME:20201130T123000Z
DTSTAMP;VALUE=DATE-TIME:20260307T150115Z
UID:indico-contribution-84-1217@events.chpc.ac.za
DESCRIPTION:Speakers: Ewald Van der Westhuizen (Stellenbosch University)\n
 Kaldi] is an open source software project that was initiated by the Center
  for Language and Speech Processing\,Johns Hopkins University.  It is one 
 of the leading toolkits used for research in automatic speech recognition 
 (ASR).The toolkit employs current machine learning techniques such  a  dee
 p  neural  networks  and  is  capable  of  state-of-the-art  performance. 
   Kaldi  can  be  configured  for  a  single personal computer or a high p
 erformance computing (HPC) cluster using the Sun Grid Engine.  Although co
 nfiguring Kaldi for parallelisation on a cluster is well documented\, it i
 s assumed that the user has complete control.  A researcher may have the o
 ption to set up an in-house cluster with the advantage of complete control
 \, but maintaining the cluster can become a task that distracts from  the 
  research  work.   The  size  of  an  in-house  cluster is also limited by
  the resources and funds available to the researcher.  When the disadvanta
 ges outweigh the advantages\, migrating to a larger\, community-based clus
 ter with on-site support becomes attractive.  Because such clusters host u
 sers from various institutions and disciplines\, usage policies and restri
 ctions apply which were not applicable to the in-house cluster. These rest
 rictions affect how Kaldi can be used.\n\n[Full abstract added as a PDF at
 tachment.]\n\nhttps://events.chpc.ac.za/event/84/contributions/1217/
LOCATION:
URL:https://events.chpc.ac.za/event/84/contributions/1217/
END:VEVENT
BEGIN:VEVENT
SUMMARY:Two decades of African research on academia-industry high performa
 nce computing access and utilization – A systematic literature review
DTSTART;VALUE=DATE-TIME:20201201T093000Z
DTEND;VALUE=DATE-TIME:20201201T100000Z
DTSTAMP;VALUE=DATE-TIME:20260307T150115Z
UID:indico-contribution-84-1317@events.chpc.ac.za
DESCRIPTION:Speakers: Liezel Cilliers (University of Fort Hare)\nThere are
  arguments amongst academics and practitioners alike for the importance of
  countries on the African to plug into the information society. On the gro
 und\, this has resulted in an emphasis on the importance of partnerships n
 ot just within institutions of higher learning but also amongst those in i
 ndustry. Internationally\, we note the growth in interest of research arou
 nd such partnerships and a documented trail of evidence within the academi
 c and practitioner press. The focal point of such research appears to be c
 entered on documented evidence-based interactions of such partnerships. Su
 ch international research is lauded in aiding our understanding and proffe
 ring best practices around human and computer system interaction issues. D
 espite this progress\, we note with concern scant focus on African case ex
 amples around academia-industry collaborations and issues related to high 
 performance computing access and utilization. In this study\, through a sy
 stematic literature review\, we attempt to present the state of being arou
 nd such research on the African continent using published peer-reviewed st
 udies published between 2000 and 2020. The research findings are grouped a
 round: a) the research methods utilized\; b) underpinning theories and c) 
 key factors employed to study academia-industry information collaboration\
 , utilization\, and access issues related to high-performance computing sy
 stems. Based on the review\, we then suggest future research directions in
 cluding themes that may enhance academia-industry partnerships around issu
 es related to high-performance computing systems access and utilization on
  the African continent. This research provides useful insights to academic
 s and practitioners on the African continent against the presented ideals.
 \n\nhttps://events.chpc.ac.za/event/84/contributions/1317/
LOCATION:
URL:https://events.chpc.ac.za/event/84/contributions/1317/
END:VEVENT
BEGIN:VEVENT
SUMMARY:From touching the code to online coding clubs
DTSTART;VALUE=DATE-TIME:20201201T090000Z
DTEND;VALUE=DATE-TIME:20201201T093000Z
DTSTAMP;VALUE=DATE-TIME:20260307T150115Z
UID:indico-contribution-84-1207@events.chpc.ac.za
DESCRIPTION:Speakers: Jean Greyling (Nelson Mandela University)\nThe TANGI
 BL coding project hosted at Nelson Mandela University Computing Sciences\,
  aims at introducing learners to coding concepts without the use of comput
 ers. It uses mobile apps\, customized tokens and image recognition to give
  learners the experience of actual code executing. Since 2017\, over 20000
  learners across the country have been reached through interactive worksho
 ps. With the COVID-19 lockdown regulations these workshops became impossib
 le. Consequently the team introduced the concept of virtual tournaments wh
 ere learners could play from home. More than 1000 learners participated in
  3 very successful tournaments\, making a wide ranging impact.\n\nhttps://
 events.chpc.ac.za/event/84/contributions/1207/
LOCATION:
URL:https://events.chpc.ac.za/event/84/contributions/1207/
END:VEVENT
BEGIN:VEVENT
SUMMARY:LANL HPC Storage Thrusts
DTSTART;VALUE=DATE-TIME:20201202T131500Z
DTEND;VALUE=DATE-TIME:20201202T134500Z
DTSTAMP;VALUE=DATE-TIME:20260307T150115Z
UID:indico-contribution-84-1208@events.chpc.ac.za
DESCRIPTION:Speakers: Gary Grider (Los Alamos National Laboratory)\nThis t
 alk will cover current LANL HPC storage environments and methods\,  new di
 rections  and technologies  being explored\, and how HPC\, AI\, and Analyt
 ics storage workloads might  be serviced  by a  single  flexible storage s
 ystem a few years  from now.  Additionally information on  a few of the ma
 ny  HPC storage  related R&D projects LANL and its  partners is working on
 .  Also\, information on partnering with LANL  to  solve important  HPC te
 chnology related problems in storage and other  areas will be presented.\n
 \nhttps://events.chpc.ac.za/event/84/contributions/1208/
LOCATION:
URL:https://events.chpc.ac.za/event/84/contributions/1208/
END:VEVENT
BEGIN:VEVENT
SUMMARY:Managing Bufferbloat in Storage Systems
DTSTART;VALUE=DATE-TIME:20201202T134500Z
DTEND;VALUE=DATE-TIME:20201202T141500Z
DTSTAMP;VALUE=DATE-TIME:20260307T150115Z
UID:indico-contribution-84-1311@events.chpc.ac.za
DESCRIPTION:Speakers: Carlos Maltzahn (University of California\, Santa Cr
 uz)\nScalable storage servers consist of multiple parts that communicate a
 synchronously via queues. There is usually a frontend that queues access r
 equests from storage clients and uses one or more threads to forward queue
 d requests to a backend. The backend queues these forwarded requests and b
 atches them to efficiently use storage devices it manages. Storage servers
  can have multiple kinds of backends with different design assumptions abo
 ut their underlying storage device technologies. Requests are scheduled in
  the frontend to ensure different levels of service for different classes 
 of requests. For example\, requests that are generated by data scrubbers w
 orking in the background generally have a lower priority than requests fro
 m an application. A common solution to the above problem is to move reques
 t scheduling from the frontend to the backend. For various reasons that is
  not always practical. The scope of the proposed project is to have the sc
 heduler reside in the frontend and to explore designs for backends to dyna
 mically control the admission of requests depending on continually changin
 g workloads and storage device technologies. \n\nScheduling in the fronten
 d and batching in the backend work best if there are enough requests in th
 eir respective queues. This raises the question: what is enough for the fr
 ontend and for the backend? If there are too few requests in the frontend 
 but more than enough requests in the backend\, the system might work well 
 in terms of overall throughput but might poorly enforce scheduling objecti
 ves. If there are too few requests in the backend\, then overall throughpu
 t and latency suffer no matter the scheduling objectives. If\, however\, t
 he backend has the ability to admit just enough requests from the frontend
  but not more\, throughput and latency of the backend is likely satisfacto
 ry. If there is enough work overall\, the frontend has enough requests to 
 meet scheduling objectives. How many requests are just enough for the back
 end?\n\nIn this talk I will give an overview of an ongoing research projec
 t at the UC Santa Cruz Center for Research in Open Source Software (cross.
 ucsc.edu) to reframe this question as a bufferbloat mitigation problem usi
 ng algorithms similar to the ones used for bufferbloat in networking.\n\nh
 ttps://events.chpc.ac.za/event/84/contributions/1311/
LOCATION:
URL:https://events.chpc.ac.za/event/84/contributions/1311/
END:VEVENT
BEGIN:VEVENT
SUMMARY:Stitch-IO for Additive Manufacturing Simulation
DTSTART;VALUE=DATE-TIME:20201202T123000Z
DTEND;VALUE=DATE-TIME:20201202T130000Z
DTSTAMP;VALUE=DATE-TIME:20260307T150115Z
UID:indico-contribution-84-1312@events.chpc.ac.za
DESCRIPTION:Speakers: Jay Lofstead (Sandia National Laboratories)\nSimulat
 ing Additive Manufacturing (AM) has been difficult because simulation doma
 ins can be extremely large and the computational load is minimal. With the
  way that AM works\, only a small part of the simulation domain is require
 d at any time. Stitch-IO offers a way to decompose AM simulations into a s
 eries of short runs over short time and space scales and then enables stit
 ching together the output into a lossless\, coherent form. The data storag
 e requirement drops dramatically while requiring as little as a laptop and
  runs the whole simulation in the same wall clock time as if it were on a 
 large supercomputer with the whole simulation domain in RAM. With native P
 ython and C APIs\, Stitch-IO offers flexible analysis interfaces as well.\
 n\nhttps://events.chpc.ac.za/event/84/contributions/1312/
LOCATION:
URL:https://events.chpc.ac.za/event/84/contributions/1312/
END:VEVENT
BEGIN:VEVENT
SUMMARY:A Workflow for Identifying Jobs with Similar I/O Behavior Utilizin
 g Time Series Analysis
DTSTART;VALUE=DATE-TIME:20201202T120000Z
DTEND;VALUE=DATE-TIME:20201202T123000Z
DTSTAMP;VALUE=DATE-TIME:20260307T150115Z
UID:indico-contribution-84-1314@events.chpc.ac.za
DESCRIPTION:Speakers: Julian Kunkel (University of Reading)\nOne goal of s
 upport staff at a data center is to identify inefficient jobs and to impro
 ve their efficiency.\nTherefore\, a data center deploys monitoring systems
  that capture the behavior of the executed jobs.\nWhile it is easy to util
 ize statistics to rank jobs based on the utilization of computing\, storag
 e\, and network\, it is tricky to find patterns in 100.000 jobs\, i.e.\, i
 s there a class of jobs that aren't performing well.\n\nIn this talk\, a m
 ethodology to rank the similarity of all jobs to a reference job based on 
 their temporal IO behavior is described.\nA study is conducted to explore 
 the effectivity of the approach which starts from three reference jobs and
  investigates related jobs.\nThe data stems from DKRZ's supercomputer Mist
 ral and includes more than 500.000 jobs that have been executed for more t
 han 6 months of operation.\n\nhttps://events.chpc.ac.za/event/84/contribut
 ions/1314/
LOCATION:
URL:https://events.chpc.ac.za/event/84/contributions/1314/
END:VEVENT
BEGIN:VEVENT
SUMMARY:The GekkoFS Burst Buffer File System
DTSTART;VALUE=DATE-TIME:20201202T104500Z
DTEND;VALUE=DATE-TIME:20201202T111500Z
DTSTAMP;VALUE=DATE-TIME:20260307T150115Z
UID:indico-contribution-84-1310@events.chpc.ac.za
DESCRIPTION:Speakers: André Brinkmann (Johannes Gutenberg University Main
 z)\nMany scientific fields increasingly use high-performance computing (HP
 C) to process and analyze massive amounts of experimental data while stora
 ge systems in today’s HPC environments have to cope with new access patt
 erns. These patterns include many metadata operations\, small I/O requests
 \, or randomized file I/O\, while general-purpose parallel file systems ha
 ve been optimized for sequential shared access to large files. Burst buffe
 r file systems create a separate file system that applications can use to 
 store temporary data. They aggregate node-local storage available within t
 he compute nodes or use dedicated SSD clusters and offer a peak bandwidth 
 higher than that of the backend parallel file system without interfering w
 ith it. We present GekkoFS\, a temporary\, highly-scalable file system whi
 ch has been specifically optimized for the aforementioned use cases. Gekko
 FS provides relaxed POSIX semantics which only offers features which are a
 ctually required by most (not all) applications. GekkoFS is\, therefore\, 
 able to provide scalable I/O performance and reaches millions of metadata 
 operations already for a small number of nodes\, significantly outperformi
 ng the capabilities of common parallel file systems.\n\nhttps://events.chp
 c.ac.za/event/84/contributions/1310/
LOCATION:
URL:https://events.chpc.ac.za/event/84/contributions/1310/
END:VEVENT
BEGIN:VEVENT
SUMMARY:Converging Storage Technologies Using a Flexible HPC Storage Frame
 work
DTSTART;VALUE=DATE-TIME:20201202T101500Z
DTEND;VALUE=DATE-TIME:20201202T104500Z
DTSTAMP;VALUE=DATE-TIME:20260307T150115Z
UID:indico-contribution-84-1315@events.chpc.ac.za
DESCRIPTION:Speakers: Michael Kuhn (Otto von Guericke University Magdeburg
 )\nTraditionally\, file systems are mostly monolithic\, making it hard to 
 experiment with new approaches and technologies. Exchanging core functiona
 lity within a file system is a burdensome task\, leading to a lack of inno
 vation in this area. However\, data volumes are growing rapidly because th
 e ability to capture and produce data is increasing at an exponential rate
 . Rising core counts and data volumes present challenges for contemporary 
 storage systems\, especially regarding metadata performance and data manag
 ement. This makes it even more important to investigate new ways of storin
 g and managing data efficiently.\n\nHPC storage systems are typically desi
 gned around POSIX-compliant parallel distributed file systems that are acc
 essed using sophisticated I/O libraries. The file system and library layer
 s are strictly separated for portability reasons. While this allows exchan
 ging individual layers\, their complexities pose a high barrier of entry. 
 This is especially problematic for shorter research projects and presents 
 a significant hurdle for young researchers and students.\n\nWithin the JUL
 EA and CoSEMoS projects\, we are aiming to change this. JULEA is a flexibl
 e storage framework that can be used to prototype new ideas related to sto
 rage and file systems. It allows offering arbitrary I/O interfaces to appl
 ications and includes interfaces for object\, key-value and database stora
 ge. The framework has been designed to be easy to set up and run without a
 dministrative privileges\, so it can be used on a wide range of software a
 nd hardware environments. It also serves as the foundation of the CoSEMoS 
 project\, which explores the benefits of a coupled storage system for self
 -describing data formats\, such as HDF5 and ADIOS2. This allows the storag
 e system to manage file metadata found within these data formats and makes
  it possible to use structural information for selecting appropriate stora
 ge technologies. For instance\, metadata can be stored in database systems
  that can be queried efficiently. Moreover\, making use of established dat
 a formats allows running existing applications without modifications\, whi
 ch helps preserve past investments in software development.\n\nCoSEMoS ena
 bles novel data management approaches via a data analysis interface that g
 ives applications direct access to JULEA's backends\, eliminating the need
  to sift through large volumes of data to find relevant data points. Break
 ing up the strict separation has additional long-term benefits\, such as b
 eing able to take data migration decisions based on structural information
  found within the file formats.\n\nThis talk will briefly introduce the JU
 LEA and CoSEMoS projects\, and show the opportunities enabled by their nov
 el storage system design.\n\nhttps://events.chpc.ac.za/event/84/contributi
 ons/1315/
LOCATION:
URL:https://events.chpc.ac.za/event/84/contributions/1315/
END:VEVENT
BEGIN:VEVENT
SUMMARY:SANReN Data Transfer Pilot Service and Performance Enhancement Res
 ponse Team update
DTSTART;VALUE=DATE-TIME:20201202T093000Z
DTEND;VALUE=DATE-TIME:20201202T100000Z
DTSTAMP;VALUE=DATE-TIME:20260307T150115Z
UID:indico-contribution-84-1316@events.chpc.ac.za
DESCRIPTION:Speakers: Kasandra Pillay (SANReN)\nMoving masses of data is a
  challenge. In most cases networks optimized for business\noperations are 
 neither designed for nor capable of supporting the data movement requireme
 nts of data intensive research. When scientists attempt to run data intens
 ive applications over these so called “general purpose”/enterprise net
 works\, the result is often poor performance – in many cases poor enough
  that the science mission is significantly impacted. At its worst this mea
 ns either not getting the data\, getting it too late or resorting to “de
 sperate” measures such as shipping disks around. The South African Natio
 nal Research Network (SANReN) has been piloting a data transfer service wi
 th the goal of changing this for our researchers/scientists and optimising
  the transfer of datasets across the network. The service makes use of dat
 a transfer nodes configured in a science DMZ architecture using specially 
 designed data transfer tools to assist to efficiently and securely move da
 ta between local institutions\, to and from the CHPC and internationally.\
 nThis presentation will present an overview of the SANReN Performance Enha
 ncement Response Team’s goals\, specifically with regards to the SANReN 
 Data Transfer Pilot service. This includes the science DMZ\, data transfer
  nodes\, tools and services implemented. An update will be given on this s
 ervice on planned way forward and results achieved so far.\nKeywords: Perf
 ormance Enhancement Response Team\, Science DMZ\, data transfer nodes\, op
 timising data transfer\n\nhttps://events.chpc.ac.za/event/84/contributions
 /1316/
LOCATION:
URL:https://events.chpc.ac.za/event/84/contributions/1316/
END:VEVENT
BEGIN:VEVENT
SUMMARY:Calabash - why store your data in a cloud when you can use a gourd
  ?
DTSTART;VALUE=DATE-TIME:20201202T090000Z
DTEND;VALUE=DATE-TIME:20201202T093000Z
DTSTAMP;VALUE=DATE-TIME:20260307T150115Z
UID:indico-contribution-84-1313@events.chpc.ac.za
DESCRIPTION:Speakers: Simon Ratcliffe (SARAO)\nTsolo Storage Systems is a 
 leading provider of petascale Ceph storage solutions. Through our partners
 hip with the South African Radio Astronomy Observatory\, we have delivered
  some of the largest storage installations in the country.\n\nOur next gen
 eration product seeks to democratise the power and cost-benefit of Ceph as
  an open-source storage solution in order to drastically simplify your sto
 rage needs.\n\nBuilding on top of a custom hardware platform we are able t
 o offer fully managed\, user provisioned\, S3 storage at a fraction of the
  price of the incumbent providers.\n\nThis talk will highlight the homegro
 wn innovation and technical solutions to local storage problems\, as well 
 as the successful public-private partnership with SARAO.\n\nhttps://events
 .chpc.ac.za/event/84/contributions/1313/
LOCATION:
URL:https://events.chpc.ac.za/event/84/contributions/1313/
END:VEVENT
BEGIN:VEVENT
SUMMARY:Keynote 3:  Strong Gravitational Lensing and Machine Learning in t
 he Era of Large Sky Surveys
DTSTART;VALUE=DATE-TIME:20201130T143000Z
DTEND;VALUE=DATE-TIME:20201130T153000Z
DTSTAMP;VALUE=DATE-TIME:20260307T150115Z
UID:indico-contribution-84-1325@events.chpc.ac.za
DESCRIPTION:Speakers: Laurence Perreault Levasseur (Université de Montré
 al)\nMachine learning methods have seen a rapid expansion in applications 
 to various fields of astrophysics in recent years. In this talk\, I will d
 iscuss our results on using deep convolutional neural networks to estimate
  the parameters of strong gravitational lenses from telescope data. Estima
 ting these parameters with traditional maximum-likelihood modeling methods
  is a time- and resource-consuming procedure\, involving several data prep
 aration steps and a difficult optimization process. I will discuss how\, u
 sing deep convolutional networks\, we are able to estimate these parameter
 s and their uncertainties 10 million times faster than with traditional me
 thods\, with a similar accuracy. With the advent of large volumes of data 
 from upcoming ground and space surveys and the remarkable speed offered by
  these networks\, deep learning promises to become an indispensable tool f
 or the analysis of large survey data.\n\nhttps://events.chpc.ac.za/event/8
 4/contributions/1325/
LOCATION:
URL:https://events.chpc.ac.za/event/84/contributions/1325/
END:VEVENT
BEGIN:VEVENT
SUMMARY:A Spatial Model for Covid-19
DTSTART;VALUE=DATE-TIME:20201130T120000Z
DTEND;VALUE=DATE-TIME:20201130T123000Z
DTSTAMP;VALUE=DATE-TIME:20260307T150115Z
UID:indico-contribution-84-1323@events.chpc.ac.za
DESCRIPTION:Speakers: Zaid Kimmie ()\nWe have designed and implemented a s
 patial SEIR model for tracking and predicting the course of the\nCovid-19 
 pandemic. The model uses ward-level data to model the eect of local condit
 ions\, including\nsocio-economic conditions and climate\, on the spread of
  Covid-19.\n\nhttps://events.chpc.ac.za/event/84/contributions/1323/
LOCATION:
URL:https://events.chpc.ac.za/event/84/contributions/1323/
END:VEVENT
BEGIN:VEVENT
SUMMARY:Keynote 4:  Automated Detection of Eskers in Hillshaded Digital El
 evation Models Using Convolutional Neural Networks
DTSTART;VALUE=DATE-TIME:20201201T143000Z
DTEND;VALUE=DATE-TIME:20201201T153000Z
DTSTAMP;VALUE=DATE-TIME:20260307T150115Z
UID:indico-contribution-84-1320@events.chpc.ac.za
DESCRIPTION:Speakers: Kassim Mwitondi (Sheffield Hallam University)\nSea-l
 evel rise constitutes a significant risk for over 600 million people in th
 e Low-Elevation Coastal Zone. Consid-\nerable uncertainty exists over the 
 magnitude of possible future sea-level rise\, because of poorly understood
  processes\ngoverning the stability of ice sheets (continental sized glaci
 ers). One such uncertainty is how meltwater interacts with\nice under a wa
 rming climate. Understanding of this process is limited by the inaccessibi
 lity of the subglacial zone\,\nwhich lies beneath 100s to 1000s of m of ic
 e. One approach to address this uncertainty is to investigate areas where\
 nice sheets have retreated\, i.e.\, where their beds are easily accessible
 . Eskers are landforms that record the location\nand dimensions of former 
 subglacial meltwater channels\, and are common in glaciated regions. Recen
 t years have\nseen a dramatic increase in the availability of high-resolut
 ion Digital Elevation Models (DEMs) of glaciated regions\,\nproviding the 
 opportunity to make detailed measurements of eskers from remotely sensed d
 ata. Manual mapping of\nthese features at the required level of detail is 
 not feasible over the large areas occupied by palaeo-ice sheets (e.g.\nmos
 t of Canada). We propose an automated method for detecting eskers in hills
 haded digital elevation models\, based\non Convolutional Neural Networks (
 CNN). The automated method maps esker locations to facilitate detailed mor
 -\nphometric study of their form. Multiple CNN models are trained and test
 ed via a specially–designed algorithm with\nbuilt–in mechanism for sel
 ecting an optimal model. Training and testing imagery data were obtained f
 rom a test area\nin Canada\, consisting of 1041 esker positive JPEG files 
 and 37000 esker negative JPEG files. The CNN model perfor-\nmance on previ
 ously unseen images with and without eskers yields high sensitivity and sp
 ecificity respectively and\nwe use the model outputs to elicit esker featu
 res from the images. Discussions focus on how timely identifying esker\nlo
 cations enhance our understanding of why\, how\, and how fast the sea leve
 l rise might happen. We also highlight\nthe importance of gaining such kno
 wledge in a timely manner within the context of the United Nations Sustain
 able\nDevelopment Goals (SDGs)–particularly SDG #13 and others relating 
 to poverty and food security.\n\nhttps://events.chpc.ac.za/event/84/contri
 butions/1320/
LOCATION:
URL:https://events.chpc.ac.za/event/84/contributions/1320/
END:VEVENT
BEGIN:VEVENT
SUMMARY:Lung Health Screening by Automatic Cough Analysis with Application
 s to Tuberculosis and COVID-19
DTSTART;VALUE=DATE-TIME:20201202T134500Z
DTEND;VALUE=DATE-TIME:20201202T141500Z
DTSTAMP;VALUE=DATE-TIME:20260307T150115Z
UID:indico-contribution-84-1302@events.chpc.ac.za
DESCRIPTION:Speakers: Madhurananda Pahar (Stellenbosch University)\nWe hav
 e applied machine learning algorithms\, including logistic regression (LR)
 \, support vector machines (SVM)\, k-nearest neighbour (KNN) and neural ne
 tworks (DNN) including convolutional (CNN)\, recursive (LSTM) and Resnet50
  architectures to classify the coughing sounds of tuberculosis (TB) and CO
 VID19 patients.\n\n\nTo do this for TB\, we have complied a dataset of cou
 gh recordings obtained in a real-world setting from 16 patients confirmed 
 to be suffering from TB and 33 patients that are suffering from a respirat
 ory condition that has been confirmed to not be TB. Among all classifiers 
 considered\, we find that best performance is achieved using a LR. In comb
 ination with feature selection by sequential forward search (SFS)\, our be
 st system achieves an area under the ROC curve (AUC) of 0.94 using 23 feat
 ures selected from a set of 78 high-resolution mel-frequency cepstral coef
 ficients (MFCCs). This system is able to exceed the 90\\% sensitivity at 7
 0\\% specificity specification considered by the WHO as a minimal requirem
 ent for an effective community-based triage test.\n\n\nFor COVID-19\, gath
 ering or own data has proved to be very challenging and hence we have deve
 loped initial systems using the publicly-available COSWARA dataset (https:
 //coswara.iisc.ac.in/about)\, which currently includes recordings of the c
 oughs by 1135 healthy and 95 COVID-19 positive patients. As this dataset i
 s highly imbalanced\, synthetic minority over-sampling (SMOTE) is applied 
 before training CNN\, LSTM and Resnet50 neural architectures. Our best sys
 tem\, which is a Resnet50\, has achieved an AUC of 0.96. We would like to 
 apply this system on a locally-compiled dataset. Therefore we are engaged 
 in a data-gathering project (https://coughtest.online) which has so far co
 llected cough sounds from 8 COVID positive and 14 COVID negative participa
 nts.\n\n\nWe conclude that\, for TB\, automatic classification of cough au
 dio sounds is promising as a viable means of low-cost easily-deployable fr
 ont-line screening\, and we are actively pursuing improvements to our syst
 em. For COVID-19\, cough classification also appears to hold much promise\
 , but more extensive testing on locally-collected data is necessary to obt
 ain more clarity. All classifiers were trained and evaluated using nested 
 cross-validation to make best use of the small datasets for parameter esti
 mation\, hyperparameter optimisation and final testing.\nThis is a computa
 tionally extremely expensive process but easily parallelised\, and hence t
 he CHPC provided an ideal and key resource for performing this work.\n\nht
 tps://events.chpc.ac.za/event/84/contributions/1302/
LOCATION:
URL:https://events.chpc.ac.za/event/84/contributions/1302/
END:VEVENT
BEGIN:VEVENT
SUMMARY:An ab initio high performance computing approach to time-dependent
  cosmic-ray modulation
DTSTART;VALUE=DATE-TIME:20201202T131500Z
DTEND;VALUE=DATE-TIME:20201202T134500Z
DTSTAMP;VALUE=DATE-TIME:20260307T150115Z
UID:indico-contribution-84-1215@events.chpc.ac.za
DESCRIPTION:Speakers: Katlego Moloto (NWU)\nA physics-first approach is fo
 llowed to model cosmic-ray (CR) modulation from first principles\, using a
  novel time-dependent three-dimensional stochastic solver of the Parker tr
 ansport equation. This approach places a strong\, primary emphasis on unde
 rstanding the basic causes of cosmic-ray modulation. This requires knowled
 ge and an understanding of both the large scale quantities such \nas the h
 eliospheric magnetic field\, heliospheric tilt angle and the solar wind sp
 eed\, and the small scale quantities such as the magnetic variance and cor
 relation scales. By its very nature\, this approach is extremely computati
 onally expensive\, and requires high-performance computation on a large sc
 ale\, such as that made available by the CHPC. The end result is the most 
 realistic solar-cycle dependent three-dimensional cosmic-ray modulation mo
 del to date\, that is able to self-consistently reproduce the major salien
 t features of the observed cosmic ray intensity temporal profiles. A bette
 r understanding of the primary drivers of cosmic-ray modulation\, is essen
 tial to being able to glean valuable insights into new\, fundamental physi
 cs in the transport of highly energetic charged particles originating from
  astrophysical sources.\n\nhttps://events.chpc.ac.za/event/84/contribution
 s/1215/
LOCATION:
URL:https://events.chpc.ac.za/event/84/contributions/1215/
END:VEVENT
BEGIN:VEVENT
SUMMARY:Rational design of Sn(IV) porphyrins for photodynamic therapy: pro
 gress to date and future perspectives
DTSTART;VALUE=DATE-TIME:20201202T123000Z
DTEND;VALUE=DATE-TIME:20201202T130000Z
DTSTAMP;VALUE=DATE-TIME:20260307T150115Z
UID:indico-contribution-84-1296@events.chpc.ac.za
DESCRIPTION:Speakers: John Mack (Rhodes University)\nIn recent years\, con
 siderable progress has been made in using a rational design approach [1] g
 uided by calculations with the Gaussian 09 software package on the Lengau 
 cluster and an application of Michl's perimeter model [1\,2] to prepare no
 vel Sn(IV) complexes of porphyrin dyes and porphyrin analogues that are su
 itable for use as photosensitizer dyes in photodynamic therapy [3-9]. Axia
 l ligation results in low levels of aggregation\, while the Sn(IV) ion pro
 motes intersystem crossing resulting in relatively high singlet oxygen qua
 ntum yields through a heavy atom effect. Relatively low IC50 values have b
 een obtained during *in vitro* studies against MCF-7 breast cancer cells. 
 Future directions on the use of the Gaussian 09 software package in the co
 ntext of this research will be described.\n\n**References**\n[1] J. Mack\,
  *Chem. Rev.* **2017**\, *117*\, 3444-3478.\n[2] J. Michl\, *Tetrahedron* 
 **1984**\, *40*\, 3845-3934.\n[3] B. Babu\, E. Amuhaya\, D. Oluwole\, E. P
 rinsloo\, J. Mack and T. Nyokong\, *MedChemComm* **2019**\, *10*\, 41-48.\
 n[4] R. C. Soy\, B. Babu\, D. O. Oluwole\, N. Nwaji\, J. Oyim\, E. Amuhaya
 \, E. Prinsloo\, J. Mack and T. Nyokong\, *J. Porphyrins Phthalocyanines* 
 **2019**\, *23*\, 34-45.\n[5] B. Babu\, E. Prinsloo\, J. Mack\, T. Nyokong
 \, *New J. Chem.* **2019**\, *43*\, 18805-18812.\n[6] S. Dingiswayo\, B. B
 abu\, E. Prinsloo\, J. Mack\, T. Nyokong\, *J. Porphyrins Phthalocyanines*
  **2020**\, *24*\, 1138-1145.\n[7] B. Babu\, J. Mack\, T. Nyokong\, *Dalto
 n Trans.* **2020**\, *49*\, 9568-9573.\n[8] B. Babu\, E. Prinsloo\, J. Mac
 k\, T. Nyokong\, *New J. Chem.*\, **2020**\, *44*\, 11006-11012.\n[9] B. B
 abu\, J. Mack\, T. Nyokong\, accepted in *Dalton Trans.* in **2020**. doi:
  10.1039/D0DT03296D\n\nhttps://events.chpc.ac.za/event/84/contributions/12
 96/
LOCATION:
URL:https://events.chpc.ac.za/event/84/contributions/1296/
END:VEVENT
BEGIN:VEVENT
SUMMARY:Large Scale Computations in Data Science
DTSTART;VALUE=DATE-TIME:20201202T120000Z
DTEND;VALUE=DATE-TIME:20201202T123000Z
DTSTAMP;VALUE=DATE-TIME:20260307T150115Z
UID:indico-contribution-84-1211@events.chpc.ac.za
DESCRIPTION:Speakers: Bubacarr Bah (African Institute for Mathematical Sci
 ences (AIMS) South Africa & Stellenbosch University)\nThe Data Science Res
 earch Group is engaged in a broad spectrum of data science problems rangin
 g from theory to computations to applications. \n\nThe computations and ap
 plications in particular required HPC resources. In particular\, the imple
 mentation of a special neural network referred to as the Error Correction 
 Neural Network (ECNN) was a computation project that required HPC for test
 ing. Application examples include accident detection from traffic videos\,
  and the localization of lesions in Diabetic Retinopathy.\n\nThe HPC requi
 rements of these projects included storage for the data and compute resour
 ces\, both CPU and GPU\, for the deep learning models being used.\n\nAt th
 e beginning the challenge was the lack of GPUs\, but it became more about 
 software packages required by the constantly changing implementations of t
 hese deep learning models.\n\nThe talk will showcase research results and 
 impact that were made possible by access to CHPC computing resources.\n\nh
 ttps://events.chpc.ac.za/event/84/contributions/1211/
LOCATION:
URL:https://events.chpc.ac.za/event/84/contributions/1211/
END:VEVENT
BEGIN:VEVENT
SUMMARY:Machine learning-based prediction of phases in high-entropy alloys
DTSTART;VALUE=DATE-TIME:20201202T104500Z
DTEND;VALUE=DATE-TIME:20201202T111500Z
DTSTAMP;VALUE=DATE-TIME:20260307T150115Z
UID:indico-contribution-84-1301@events.chpc.ac.za
DESCRIPTION:Speakers: Ronald Machaka (CSIR)\n**Abstract:**\n“The answer 
 to the question “why HEAs exhibit such exceptional properties” lies in
  their phases” [1]. The implementation of machine learning (ML) approach
 es for the classification of solid solution high-entropy alloy (HEA) phase
 s is\, therefore\, a topical theme in material informatics. For this study
 \, we construct a new dataset based at least 430 peer-reviewed experimenta
 l publications including at least 40 metallurgy-specific predictor feature
 s. This study proposes a systematic framework incorporating of (a) six fea
 ture selection schemes\, (b) construction of feature ensembles\, and (c) t
 he implementation of eight general ML classifiers. The classifiers\, namel
 y: regression tree (DT)\, linear discriminant analysis (LDA)\, naїve Baye
 s (NB)\, generalized linear regression (GLMNET)\, random forest (RF)\, art
 ificial neural networks (NNET)\, k-nearest neighbors (kNN)\, and support v
 ector machines (SVM) were trained and evaluated on classifying HEA solid s
 olution phases across feature ensemble sizes. Feature selection results id
 entify the most discriminating predictor features and against intuition\, 
 the post-treatment heat-treatment features performed poorly. The RF\, SVM\
 , kNN\, and NNET classifiers outperformed the other algorithms used with a
 ccuracy rates of 97.5%\, 95.8%\, 94.5%\, and 94.0%\, respectively. Also\, 
 we found that our best results are superior to earlier studies on the same
  datasets. The proposed method can be used in other research areas.\n\n[1]
  Agarwal\, A. & Prasada Rao\, A. K. Artificial Intelligence Predicts Body-
 Centered-Cubic and Face-Centered-Cubic Phases in High-Entropy Alloys. JOM 
 71\, 3424–3432 (2019).\n\nhttps://events.chpc.ac.za/event/84/contributio
 ns/1301/
LOCATION:
URL:https://events.chpc.ac.za/event/84/contributions/1301/
END:VEVENT
BEGIN:VEVENT
SUMMARY:Novel Peptides as Potent Inhibitors of SARS-CoV-2 that work by Two
  distinct mechanisms: Molecular Docking and Dynamics Approach
DTSTART;VALUE=DATE-TIME:20201202T101500Z
DTEND;VALUE=DATE-TIME:20201202T104500Z
DTSTAMP;VALUE=DATE-TIME:20260307T150115Z
UID:indico-contribution-84-1319@events.chpc.ac.za
DESCRIPTION:Speakers: Lucy Kiruri (Kenyatta University)\nThe global outbre
 ak of SARS-CoV-2 has caused high mortality rate and therefore requires an 
 urgent identification of drugs and other interventions to overcome the dis
 ease. Scientist around the world are looking for new drugs or molecules to
  target the spike protein to prevent Covid-19 infection. We present molecu
 lar docking analysis of eight synthetic peptides against SARS-CoV-2 spike 
 protein. Some interacted with the ACE2 while others interacted at the inte
 rface of the ACE2 and S protein. These peptides are potential molecules in
  preventing Covid-19 establishment and can be developed to new drugs.\n\nh
 ttps://events.chpc.ac.za/event/84/contributions/1319/
LOCATION:
URL:https://events.chpc.ac.za/event/84/contributions/1319/
END:VEVENT
BEGIN:VEVENT
SUMMARY:A multi-physics framework for modelling coupled heterogeneous tran
 sport and reaction kinetics
DTSTART;VALUE=DATE-TIME:20201202T093000Z
DTEND;VALUE=DATE-TIME:20201202T100000Z
DTSTAMP;VALUE=DATE-TIME:20260307T150115Z
UID:indico-contribution-84-1299@events.chpc.ac.za
DESCRIPTION:Speakers: Oliver Oxtoby (Engys Ltd)\nConjugate coupled physics
  problems involving multiple materials and domains exist across industry\,
  with various combinations of heat\, mass\, and momentum transport.  Examp
 les include automotive brake cooling\, thermal cooling of electronics\, an
 d processing of chemical reactive species within packed bed reactors in th
 e oil and gas industry [1].  With the ever-growing demand to produce more 
 efficient\, environmentally friendly\, durable\, and cost effective produc
 ts\, engineers seek to exploit ever more complex simulation capabilities t
 o construct realistic virtual prototypes. Efficient parallel computing pla
 ys a crucial role in realising design decision making in a realistic time 
 frame\, and is complicated in this instance by the complexity of the multi
 -region system.\n\nWe describe a new framework to model conjugate heat\, m
 ass\, and momentum transport within a chemically reacting system [2]. This
  forms part of the HELYX CFD package built on OpenFOAM technology. The mul
 ti-region\, multi-physics framework is used to simulate the behaviour of a
  gas-phase packed-bed reactor composed of randomly packed particles within
  a tube region.  Information about interstitial flow phenomena\, global an
 d local pressure profiles\, and solid species transport phenomena is captu
 red.\n\nWe discuss several challenges to performing a CFD analysis of thes
 e types of systems\, including the creation of randomly packed domains\; m
 eshing of these complex structures\; capturing the intricate transport phe
 nomena between regions\; and scaling of coupled multi-region systems with 
 hundreds of separate domains to high core counts.\n\n**References**\n 1. D
 .P. Combest. Interstitial-Scale Modelling of Packed-Bed Reactors.  PhD Dis
 sertation. Energy\, Environmental\, and Chemical Engineering Dept. Washing
 ton University in St. Louis. 2012. Accessed January 29\, 2020.\n 2. O. Oxt
 oby\, E. de Villiers\, S. Georgescu. A new Region-Coupled Framework for Co
 njugate Heat Transfer.  2016 11th OpenFOAM Workshop\, Guimarães\, Portuga
 l. Accessed January 29\, 2020.\n 3. D. P. Combest\, P. A. Ramachandran.  M
 icro-Scale Modelling of Packed Beds.  November 2010.  2010 AIChE Annual Co
 nference. Accessed January 29\, 2020.\n\nhttps://events.chpc.ac.za/event/8
 4/contributions/1299/
LOCATION:
URL:https://events.chpc.ac.za/event/84/contributions/1299/
END:VEVENT
BEGIN:VEVENT
SUMMARY:Foodborne disease surveillance using next-generation sequencing
DTSTART;VALUE=DATE-TIME:20201202T090000Z
DTEND;VALUE=DATE-TIME:20201202T093000Z
DTSTAMP;VALUE=DATE-TIME:20260307T150115Z
UID:indico-contribution-84-1210@events.chpc.ac.za
DESCRIPTION:Speakers: Rian Pierneef (Agricultural Research Council Biotech
 nology Platform)\nThe 2017-2018 South African listeriosis epidemic was the
  world's worst outbreak of Listeria monocytogenes food poisoning with more
  than a 1\,000 confirmed cases and an estimated 200 deaths. This outbreak 
 highlighted the vulnerability of the South African population with regards
  to foodborne diseases and the critical role foodborne disease surveillanc
 e plays in public health. \n\nRecently\, the World Health Organization enc
 ouraged countries to incorporate next-generation sequencing\, in particula
 r whole genome sequencing\, in their foodborne disease surveillance and re
 sponse systems. Management of foodborne disease threats requires the swift
  and correct identification of foodborne pathogens. Whole genome sequencin
 g currently provides the highest possible resolution and strain discrimina
 tion for foodborne pathogens with a rapid turnaround time. The data genera
 ted by whole genome sequencing enables in silico determination of numerous
  critical aspects in foodborne disease surveillance such as strain typing\
 , resistance profiling\, virulence characterisation and phylogenetic analy
 sis. This negates the often cumbersome and time-consuming traditional typi
 ng methods as whole genome sequencing is proving to be an all-encompassing
  method of foodborne disease surveillance.\n	\nPrevention of high-burden f
 oodborne disease outbreaks such as listerioses and salmonellosis requires 
 surveillance across the entire “farm to fork” value chain. This enable
 s the detection of possible epidemiological hotspots and entry points of f
 oodborne pathogens within the value chain.\n\nLocated on the Agricultural 
 Research Council's Onderstepoort Veterinary Institute campus\, the Biotech
 nology Platform (ARC-BTP) was established in 2010 as a major strategic pri
 ority of the ARC. The role of the ARC-BTP is to create the high-throughput
  resources and technologies required for applications in genomics\, quanti
 tative genetics\, marker assisted breeding and bioinformatics within the a
 gricultural sector. The ARC-BTP is currently involved in various foodborne
  pathogen and disease surveillance research projects and houses the requir
 ed technologies and capacity to provide whole genome sequencing and bioinf
 ormatic analysis for these research projects.\n\nFoodborne disease surveil
 lance research projects requires the collection of numerous samples from v
 arious points within the “farm to fork” value chain which leads to the
  generation of copious amounts of data. Each sample produces roughly 500 M
 B of raw sequencing data which is then analysed with published and establi
 shed workflows. Robust foodborne disease surveillance research projects re
 quires the collection and sequencing of a large cohort of samples which pr
 oduces a wealth of raw sequencing data. Typical workflows for foodborne di
 sease research therefor require access to high-performance computing envir
 onments due to the extensive datasets used and the computational and memor
 y intensive applications used in these research endeavours. The CHPC has p
 roved to be a critical partner in foodborne disease surveillance research 
 projects.\n\nIn foodborne disease surveillance the adage “Prevention is 
 better than cure” holds true. The prevention of foodborne disease outbre
 aks is paramount in public health. The COVID-19 pandemic has demonstrated 
 the critical importance of wide-spread and continuous testing. The same ap
 plies to foodborne disease surveillance. The prevention of epidemics such 
 as the South African listeriosis outbreak requires large foodborne disease
  surveillance and foodborne pathogen testing projects to protect public he
 alth and ensure that no lives are lost due to contaminated food.\n\nhttps:
 //events.chpc.ac.za/event/84/contributions/1210/
LOCATION:
URL:https://events.chpc.ac.za/event/84/contributions/1210/
END:VEVENT
BEGIN:VEVENT
SUMMARY:Dealing with the MeerKAT Data Deluge: Risk for the Data Centre\, R
 eward for the Scientist
DTSTART;VALUE=DATE-TIME:20201201T134500Z
DTEND;VALUE=DATE-TIME:20201201T141500Z
DTSTAMP;VALUE=DATE-TIME:20260307T150115Z
UID:indico-contribution-84-1300@events.chpc.ac.za
DESCRIPTION:Speakers: Bradley Frank (IDIA / SARAO)\nThe MeerKAT telescope 
 will conduct many scientific projects during the next five years. These ra
 nge from a few Large Survey Projects (LSPs) and many\, smaller\, Open Time
  Projects (OTPs). The LSPs and OTPs will use the excellent imaging quality
  of MeerKAT to explore new and exciting parts of parameter space\, allowin
 g us to study the evolution of galaxies and the nature of transient object
 s\, for example.\n\nTo access the sensitivity and the imaging quality of M
 eerKAT\, astronomers will have to deal with an enormous amount of data -- 
 from terabytes for single projects and petabytes for the LSPs. Radio astro
 nomers have thus turned to HPC to deal with the deluge of data\, with the 
 aim of producing high science quality data products\, while keeping pace w
 ith observations. This will allow researchers to mitigate against the nega
 tive effects of a data backlog\, but will also ensure a high research thro
 ughput -- which is essential for the projects and for MeerKAT. \n\nThere h
 as been a proliferation in the development of software tools and eco-syste
 ms for all parts of the radio astronomy processing stream -- from calibrat
 ion and imaging\, to data visualisation and analysis -- in anticipation of
  the challenge and opportunity of MeerKAT data. In addition\, the data cen
 tre plays a central role in determining the feasibility and efficiency of 
 these various workflows\, by ensuring the availability of excellent and ro
 bust services. \n\nMy talk will focus on the computational challenges face
 d by MeerKAT users\, and explore the consequences/requirements for data ce
 ntres. I will focus on a simple time-cost formalism to assess the risk to 
 science projects\, and will present a variety of basic\, yet instructive\,
  scenarios.\n\nhttps://events.chpc.ac.za/event/84/contributions/1300/
LOCATION:
URL:https://events.chpc.ac.za/event/84/contributions/1300/
END:VEVENT
BEGIN:VEVENT
SUMMARY:Cooperation between computational modelling and experimental chara
 cterization of materials
DTSTART;VALUE=DATE-TIME:20201201T131500Z
DTEND;VALUE=DATE-TIME:20201201T134500Z
DTSTAMP;VALUE=DATE-TIME:20260307T150115Z
UID:indico-contribution-84-1216@events.chpc.ac.za
DESCRIPTION:Speakers: Rose Modiba (CSIR)\nLately\, with the high demand of
  production and commercialization the need to combine both computational m
 odelling techniques and experiments to speed up the process has become a r
 eality. Computational models typically use observation and manipulation in
  the same ways as physical experiments\, because their goals are often the
  same. The advantages of computational modelling comes with low cost for r
 aw materials\, safety and saves time with procedures of synthesis and char
 acterization in the laboratory. The recent work looks into how CHPC has be
 en used in preparing the models and tested using experiments. Ti-based all
 oys are considered to be the most attractive metallic materials for aerosp
 ace and automobile applications. TiPt is one of the promising shape memory
  alloys that can be used at high temperatures due to its transformation te
 mperature of 1000 0C. However\, the binary alloy has been found to be mech
 anically unstable and exhibit very low shape memory effect attributed to l
 ow critical stress for slip deformation compared to the stress required fo
 r martensitic transformation.  We present some of the results obtained usi
 ng both computational modelling and experimental approaches on the alloy w
 herein addition of a third element to the system is investigated.\n\nhttps
 ://events.chpc.ac.za/event/84/contributions/1216/
LOCATION:
URL:https://events.chpc.ac.za/event/84/contributions/1216/
END:VEVENT
BEGIN:VEVENT
SUMMARY:Toward the development of an efficient and scalable computational 
 fluid dynamics solver for mesoscale phase separation problems
DTSTART;VALUE=DATE-TIME:20201201T123000Z
DTEND;VALUE=DATE-TIME:20201201T130000Z
DTSTAMP;VALUE=DATE-TIME:20260307T150115Z
UID:indico-contribution-84-1298@events.chpc.ac.za
DESCRIPTION:Speakers: Quinn Reynolds (Mintek)\nThe separation of a dispers
 ed mixture of immiscible fluids is a common problem that arises in many fi
 elds of engineering. Such mixtures can take the form of emulsions of one l
 iquid in another\, mists or sprays of liquid droplets in a gas continuum\,
  or foams of gas bubbles separated by thin liquid films. Numerous physical
  phenomena play a part in the behaviour of groups of droplets or bubbles i
 ncluding gravitational settling\, steric interactions\, film drainage effe
 cts\, and coalescence or break-up. These phenomena typically operate over 
 a very widerange of length and time scales\, making numerical solution wit
 h unified solvers extremely challenging. Existing methods for such problem
 s have focused on either resolving the macro scales\, typically using Eule
 r-Euler or CFD-DEM coupling algorithms which require empirical closures\, 
 or resolving only the micro scales\, using direct numerical simulation in 
 small regions around individual particles.\n\nIn this talk an alternative 
 approach for such problems\, the dynamic multi-marker method\, is discusse
 d. The new algorithm draws from fully-resolved VOF techniques developed fo
 r the micro scale and extends them efficiently to the mesoscale\, permitti
 ng systems with hundreds or thousands of dispersed particles to be modelle
 d. Such models are capable of acting as virtual prototypes and numerical e
 xperimentation platforms\, and can be used to develop a better understandi
 ng of the dynamic structures that form in dispersed phase flow problems. T
 hey are also potentially useful in generating and refining closures requir
 ed for macro scale methods. An implementation of the dynamic multi-marker 
 method as a multiphase solver in the OpenFOAM® computational mechanics fr
 amework will be presented\, together with some discussion of the interesti
 ng challenges and difficulties that were encountered in the process of opt
 imising it for modern highly-parallel HPC architectures.\n\nhttps://events
 .chpc.ac.za/event/84/contributions/1298/
LOCATION:
URL:https://events.chpc.ac.za/event/84/contributions/1298/
END:VEVENT
BEGIN:VEVENT
SUMMARY:Interfacial and Morphological phase transitions in Polymeric Mater
 ials
DTSTART;VALUE=DATE-TIME:20201201T104500Z
DTEND;VALUE=DATE-TIME:20201201T111500Z
DTSTAMP;VALUE=DATE-TIME:20260307T150115Z
UID:indico-contribution-84-1297@events.chpc.ac.za
DESCRIPTION:Speakers: Giuseppe Pellicane (University of Messina (Italy) an
 d UKZN (South Africa))\nConfining polymers in thin films causes significan
 t deviations of their structural and dynamical properties from their bulk 
 phase behaviour. In our presentation\, we show the different effect of the
  substrate on binary polymer blends with linear and cyclic architecture\, 
 as well as miktoarm star polymers in the presence of explicit solvent\, by
  means of extensive molecular dynamics simulations. In the first case\, we
  discuss the role of enthalpic and entropic factors of the interfacial fre
 e energy of the system in determining which species in the blend preferent
 ially adsorbs at the substrate [1\,2]. In the case of miktoarm polymers\, 
 we vary the solvent-block interaction to monitor the effect on the morphol
 ogy and self-assembly of the polymer film [3].\n\n[1] G. Pellicane\, M. M.
  Tchoukouegno\, G. T. Mola\, M. Tsige\n“Surface enrichment driven by pol
 ymer topology”\nPhysical Review E Rapid Communications\, 93\, 050501 (20
 16).\n\n[2] F. M. Gaitho and G. Pellicane\n“Adsorption of binary polymer
  mixtures with different topology on a wall”\nResults in Physics\, 12\, 
 975 (2019).\n \n[3] Z. Workineh\, G. Pellicane\, M. Tsige\n“Tuning solve
 nt quality induces morphological phase transitions in miktoarm star polyme
 r films"\nMacromolecules\, 53\, 15\, 6151 (2020).\n\nhttps://events.chpc.a
 c.za/event/84/contributions/1297/
LOCATION:
URL:https://events.chpc.ac.za/event/84/contributions/1297/
END:VEVENT
BEGIN:VEVENT
SUMMARY:HPC as an Enabler for Growth in Computational Fluid Dynamics Resea
 rch
DTSTART;VALUE=DATE-TIME:20201201T093000Z
DTEND;VALUE=DATE-TIME:20201201T100000Z
DTSTAMP;VALUE=DATE-TIME:20260307T150115Z
UID:indico-contribution-84-1209@events.chpc.ac.za
DESCRIPTION:Speakers: Muaaz Bhamjee (University of Johannesburg)\nThis tal
 k focuses on the computational fluid dynamics (CFD) research conducted in 
 the Department of Mechanical Engineering Science at the University of Joha
 nnesburg. The primary purpose of the talk is to highlight the need for and
  the benefit of high performance computing (HPC) to enable and grow critic
 al and relevant research in this broad area. The use of CFD and HPC has gr
 own significantly over the years within the Department largely due to the 
 acquisition and provision of HPC platforms. CFD research conducted in the 
 Department has ranged from applications in process engineering\, separatio
 n processes\, solar air heating and atomic layer deposition amongst others
 . Many of these problems require "multi-physics" modelling approaches coup
 led with exceptionally fine meshes (sub $mm$) and small time step sizes (o
 n the scale of $\\mu s$). As a consequence significant HPC resources are r
 equired to execute meaningful simulations in these research areas. A spect
 rum of computational codes are used that range in methodologies such as Na
 vier-Stokes based CFD and the Lattice Boltzmann Method (LBM). Furthermore 
 a mix of proprietary (commercial) and open source codes are leveraged. Thi
 s talk will focus on the use of internal (institutional) and external (CHP
 C) HPC platforms for the execution and growth of research in these areas. 
 The typical HPC setup and work-flow employed\, codes used as well as a det
 ailed analysis of the compute resources required for such problems will be
  detailed in this talk. Much of this research has industrial or societal r
 elevance. Thus\, an overview of the key results and the impact thereof wil
 l be presented.\n\nhttps://events.chpc.ac.za/event/84/contributions/1209/
LOCATION:
URL:https://events.chpc.ac.za/event/84/contributions/1209/
END:VEVENT
BEGIN:VEVENT
SUMMARY:Electron density in uncovering reaction mechanism
DTSTART;VALUE=DATE-TIME:20201201T090000Z
DTEND;VALUE=DATE-TIME:20201201T093000Z
DTSTAMP;VALUE=DATE-TIME:20260307T150115Z
UID:indico-contribution-84-1219@events.chpc.ac.za
DESCRIPTION:Speakers: Ignacy Cukrowski (University of Pretoria\, Departmen
 t of Chemistry)\nA REP-FAMSEC (reaction energy profile–fragment attribut
 ed molecular system energy change) protocol designed to explain each conse
 cutive energy change along the reaction pathway will be briefly described.
  Electron density-dependant energy components defined in the Interacting Q
 uantum Atoms (IQA) energy partitioning scheme are used to explore interact
 ions between meaningful polyatomic fragments of a molecular system. By qua
 ntifying energetic contributions\, as defined within the REP-FAMSEC method
 \, one can pin-point fragments (atoms) leading to or opposing a chemical c
 hange. Usefulness of the REP-FAMSEC method will be demonstrated\, as a cas
 e study\, on the proline catalysed aldol reaction for which a number of me
 chanisms is being debated for over four decades. Relative stability of S-p
 roline conformers\, their catalytic (in)activity and superior affinity of 
 the higher energy conformer to acetone will be fully explained on an atomi
 c and molecular fragment levels. Importance of the CHPC in running high le
 vel\, time-\, and resource-demanding quantum computing will also be advoca
 ted.\n\nhttps://events.chpc.ac.za/event/84/contributions/1219/
LOCATION:
URL:https://events.chpc.ac.za/event/84/contributions/1219/
END:VEVENT
BEGIN:VEVENT
SUMMARY:Epsilon Aerospace Computational Mechanics
DTSTART;VALUE=DATE-TIME:20201130T134500Z
DTEND;VALUE=DATE-TIME:20201130T141500Z
DTSTAMP;VALUE=DATE-TIME:20260307T150115Z
UID:indico-contribution-84-1218@events.chpc.ac.za
DESCRIPTION:Speakers: Ndumiso Mthembu ()\nThe Epsilon Aerospace Computatio
 nal Mechanics research programme finds relevance in the Aerospace and Defe
 nce industry. The areas of development are in Weapon Systems Integration (
 WSI) and Unmanned Aerial Vehicles (UAV's). The state-of-the-art Computatio
 nal Fluid Dynamics (CFD) and Finite Elements Methods (FEM) numerical techn
 iques are used routinely as a necessary part of the design process. High F
 idelity CFD models are required to determine an extensive Aerodynamic load
  matrix for specific flight manoeuvres at relevant points in the flight en
 velope. The acquired Aerodynamic load matrix is input in the FEM structura
 l analysis and UAV performance characterization. The use of High-Speed Com
 puting (HPC) allows high fidelity CFD/FEM to be feasible and practical too
 ls in development. The RANS turbulence modeling approach is implemented in
  OpenFoam with the use of the HISA (High Speed Aerodynamic) and SIMPLE (Se
 mi-Implicit Method for Pressure Linked Equations) solvers to solve for hig
 h-speed and low-speed  Aerodynamic flow\, respectively. HISA is a robust a
 erodynamic solver that was developed at the Aeronautic Systems Competency 
 Area of the Council for Scientific and Industrial Research in South Africa
  in collaboration with Flamengro\, a division of Armscor SOC Ltd. The turb
 ulence/transitional physical models are typically solved on a 20 Million e
 lement mesh. The typical HPC hardware usage is 10 compute nodes in MPI wit
 h an average wall-time of 18 hours. The key research programme outcome is 
 the development of optimal products that satisfy customer specification.\n
 \nhttps://events.chpc.ac.za/event/84/contributions/1218/
LOCATION:
URL:https://events.chpc.ac.za/event/84/contributions/1218/
END:VEVENT
BEGIN:VEVENT
SUMMARY:Simulation of atmospheric composition and air quality on the CHPC
DTSTART;VALUE=DATE-TIME:20201130T131500Z
DTEND;VALUE=DATE-TIME:20201130T134500Z
DTSTAMP;VALUE=DATE-TIME:20260307T150115Z
UID:indico-contribution-84-1212@events.chpc.ac.za
DESCRIPTION:Speakers: Rebecca Garland (CSIR)\nAir pollution can have large
  negative impacts on human health\, agriculture\, ecosystems\, visibility 
 and climate. In South Africa\, although ambient (i.e. outdoor) air quality
  is regulated\, many areas are out of compliance with the National Ambient
  Air Quality Standards. In order to protect human health and mitigate impa
 cts\, it is critical to improve air quality. The Constitution provides tha
 t everyone has a right to have an environment that is not harmful to their
  health. The Atmospheric Composition Focus Area in the CSIR Climate and Ai
 r Quality Modelling (CAQM) research group aims to provide the evidence bas
 e to quantify the impacts of air quality and to improve air quality. The g
 roup uses the CHPC to run an air quality model (CAMx) to simulate urban an
 d regional air quality at high resolution. CAMx is developed and maintaine
 d by Ramboll-ENVIRON (www.camx.com) and is completely open source. CAMx is
  an atmospheric chemical transport model that simulates the transport and 
 chemistry of pollutants in the atmosphere.  The processes represented with
 in the model are complex\, and thus computationally intensive\, which make
 s use of the CHPC facility a necessity. In order to run CAMx\, the team us
 es 48 to 72 cores\, depending on domain size. In addition\, the team uses 
 the CHPC to run metrological (WRF) or climate (CCAM-CABLE) models that pro
 vide the meteorological input into CAMx. These are also computationally ex
 pensive. Both WRF and CCAM scale very well\; and CCAM has been run previou
 sly with over 1000 cores. All code (CAMx\, WRF and/or CCAM) are compiled w
 ith Intel Fortran and all utilize MPI. \n\nUsing the CHPC resources\, the 
 team has been able to simulate the impact of policy interventions on air q
 uality in cities in South Africa. Additionally\, the team has simulated th
 e health risk from air pollution regionally in South Africa. In the past\,
  this has been done using monitoring station data only\, which then limits
  the analysis to only those living directly around the station. These outp
 uts directly provide the evidence base needed for decision makers to draft
  and implement policies and interventions to effectively improve air quali
 ty as well as understand its impacts\, now and into the future. This prese
 ntation will highlight some current modelling work of the group focusing o
 n urban air quality and air quality management\, as well as simulating the
  impacts of COVID-19 lockdown regulations on air quality in the Highveld.\
 n\nhttps://events.chpc.ac.za/event/84/contributions/1212/
LOCATION:
URL:https://events.chpc.ac.za/event/84/contributions/1212/
END:VEVENT
BEGIN:VEVENT
SUMMARY:A new view of the centre of our galaxy with MeerKAT
DTSTART;VALUE=DATE-TIME:20201130T123000Z
DTEND;VALUE=DATE-TIME:20201130T130000Z
DTSTAMP;VALUE=DATE-TIME:20260307T150115Z
UID:indico-contribution-84-1213@events.chpc.ac.za
DESCRIPTION:Speakers: Ian Heywood (University of Oxford / Rhodes Universit
 y / SARAO)\nWe have used the CHPC Lengau cluster to reprocess the groundbr
 eaking MeerKAT observations of the centre of our galaxy. This presentation
  will contain an overview of the steps involved in turning the raw measure
 ments from the telescope into radio images of the sky\, and why using a la
 rge-scale computing facility is essential for modern radio astronomy. We w
 ill conclude with the results themselves\, some spectacular new views of t
 he diverse range of astrophysical phenomena in this unique part of the sky
 .\n\nhttps://events.chpc.ac.za/event/84/contributions/1213/
LOCATION:
URL:https://events.chpc.ac.za/event/84/contributions/1213/
END:VEVENT
END:VCALENDAR
