BEGIN:VCALENDAR VERSION:2.0 PRODID:-//CERN//INDICO//EN BEGIN:VEVENT SUMMARY:Error Correction Based Deep Neural Networks for Modeling and Predi cting South African Wildlife–Vehicle Collision Data DTSTART;VALUE=DATE-TIME:20221201T120500Z DTEND;VALUE=DATE-TIME:20221201T122500Z DTSTAMP;VALUE=DATE-TIME:20260413T054000Z UID:indico-contribution-113-1704@events.chpc.ac.za DESCRIPTION:Speakers: Irene Nandutu (Rhodes University - South Africa)\nSe asonal Auto-Regressive Integrated Moving Average with exogenous factors (S ARIMAX) has shown promising results in modeling small and sparse observed time-series data by capturing linear features using independent and depend ent variables. Long short-term memory (LSTM) is a promising neural network for learning non-linear dependence features from data.  \n\nWith the inc rease in wildlife roadkill patterns\, SARIMAX-only and LSTM-only would lik ely fail to learn precisely several endogenous and/or exogenous variables driven by such wildlife roadkill data. In this paper\, we design and imple ment an error correction mathematical framework based on LSTM-only. The fr amework extracts features from the residual error generated by a SARIMAX-o nly model.\nThe learned residual features correct the output time-series p rediction of the SARIMAX-only model. The process combines SARIMAX-only pre dictions and LSTM-only residual predictions to obtain a hybrid SARIMAX-LST M. The models are evaluated using South African wildlife-vehicle collision datasets\, and experiments show that compared to single models\, SARIMAX- LSTM increases the accuracy of a taxon whose linear components outweigh th e non-linear ones. In addition\, the hybrid model fails to outperform LSTM -only whenever a taxon contains non-linear components than linear componen ts. Our assumption of the results is that the collected exogenous and endo genous data are insufficient\, which limits the hybrid model's performance since it cannot accurately detect seasonality on residuals from SARIMAX-o nly and minimize the SARIMAX-LSTM error. We conclude that the error correc tion framework should be preferred over single models in wildlife time-ser ies modeling and predictions whenever a dataset contains more linear compo nents. Adding more related data may improve the prediction performance of SARIMAX-LSTM.\n\nhttps://events.chpc.ac.za/event/113/contributions/1704/ LOCATION:CSIR ICC ICC-U-Crystal+Garnet - Crystal+Garnet Room URL:https://events.chpc.ac.za/event/113/contributions/1704/ END:VEVENT BEGIN:VEVENT SUMMARY:Cyber Physical Systems Security Using CPS-IoT Surveillance DTSTART;VALUE=DATE-TIME:20221201T102500Z DTEND;VALUE=DATE-TIME:20221201T104500Z DTSTAMP;VALUE=DATE-TIME:20260413T054000Z UID:indico-contribution-113-1769@events.chpc.ac.za DESCRIPTION:Speakers: Bigomokero Antoine Bagula (University of the Western Cape)\nCyber-Physical Systems (CPS) [1] are key building blocks of the fo urth industrial revolution. They consist of ICT systems that are embedded in the physical objects we manipulate daily\, as well as in our environmen t to provide an interface to the physical world. It is predicted that with the advances made in the Internet-of-Things\, Next Generation Networking\ , Cloud computing and Artificial Intelligence\, hundreds of thousands of i slands of CPS which are currently geographically distributed in different countries and regions worldwide\, will be federated to generate unpreceden t datasets\, which when submitted to emerging artificial intelligence (e.g . machine learning) models\, will provide solutions to some of the key pro blems that the world could not solve till today. However\, unlike traditio nal IT systems\, CPS include a physical space and a cyber space and both n eed to be protected to avoid heavy economic damages and human lives losses resulting from potential cyber-attacks. On the other hand\, recent litera ture on cybercrimes has revealed that the CPS-IoT\, a key element of the CPS that manages its physical space\, is the component which is most targe ted by attackers to compromise the CPS operation through the IoT nodes. Ho wever\, owing to their lightweight nature\, the IoT nodes are often capabl e of implementing only limited security functions while IoT gateways are m ore powerful devices capable of implementing advanced security functions. Building upon this assumption\, this talk revisits the issue of CPS securi ty to propose a novel security model where computational resources are ava iled by IoT gateway devices to achieve “CPS-IoT surveillance” with the objective of detecting attacks launched on the CPS [5]. The proposed secu rity model include i) a “Topology Replication Process” for detecting topology attacks and ii) a “Traffic Classification Model” using machin e learning techniques to detect and classify traffic attacks. These two mo dels can be used to detect topology and traffic attacks launched against t wo of the most widely IoT protocols\, namely RPL and MQTT\, as well as the least interference beaconing protocol (LIBP) [2\,3\,4\,5] protocol\n\n\n[ 1] Bagula A\, Ajayi O\, Maluleke H. Cyber physical systems dependability u sing cps-iot monitoring. Sensors. 2021 Apr 14\;21(8):2761.\n\n[2] A. Bagul a\, D. Djenouri\, E. M. B. Karbab. Ubiquitous sensor network management: T he least interference beaconing model. In proceedings of the 2013 IEEE 24 th Annual International Symposium on Personal\, Indoor\, and Mobile Radio Communications (PIMRC)\, Pages 2352-2356\, 2013.\n\n[3] Antoine Bagula. Hy brid traffic engineering: the least path interference algorithm. In Procee dings of the SAICSIT 2004 Conference\, Pages 89-96\, 2004.\n\n[4] A. Bagul a and Z. Erasmus\, IoT emulation with cooja\, ICTP-IoT workshop\, Tries te-Italy 2015.\n\n[5] A. Bagula\, L. Mbala & O. Ajayi. Cyber Physical Syst ems Using CPS-IoT Surveilleance. ISAT Technical Report\, Tech-Report-03-Oc tober2022.\n\nhttps://events.chpc.ac.za/event/113/contributions/1769/ LOCATION:CSIR ICC ICC-U-Crystal+Garnet - Crystal+Garnet Room URL:https://events.chpc.ac.za/event/113/contributions/1769/ END:VEVENT BEGIN:VEVENT SUMMARY:Analyst Crossfire DTSTART;VALUE=DATE-TIME:20221130T134500Z DTEND;VALUE=DATE-TIME:20221130T144500Z DTSTAMP;VALUE=DATE-TIME:20260413T054000Z UID:indico-contribution-113-1777@events.chpc.ac.za DESCRIPTION:Speakers: Addison Snell (Intersect360 Research)\, Dan Olds (In tersect360 Research)\nThe Analyst Crossfire session aims to engage with th e Vendors/Sponsors of the conference and will be facilitated by the conven ers\, Mr Addison Snell and Mr Dan Olds\, from Intersect360. \n\nThe Vendo r representatives in the session are:\n\nMr Ahmed Al-Jeshi (Intel)\nMr Oli vier Blondel (HPE)\nMr Ryan Rautenbach (Dell Technologies)\nMr Rick Koopma n (Lenovo) \nMr Yossi Avni (Nvidia)\n\nhttps://events.chpc.ac.za/event/113 /contributions/1777/ LOCATION:CSIR ICC ICC-G-DIAMOND - Diamond Auditorium URL:https://events.chpc.ac.za/event/113/contributions/1777/ END:VEVENT BEGIN:VEVENT SUMMARY:SAGE: A National Cyberinfrastructure for AI@Edge Computing DTSTART;VALUE=DATE-TIME:20221130T121500Z DTEND;VALUE=DATE-TIME:20221130T124500Z DTSTAMP;VALUE=DATE-TIME:20260413T054000Z UID:indico-contribution-113-1784@events.chpc.ac.za DESCRIPTION:Speakers: Pete Beckman (ANL)\nFrom the sensor to the laptop\, from the telescope to the supercomputer\, from the microscope to the datab ase\, scientific discovery is part of a connected digital continuum that i s dynamic and fast. In this new digital continuum\, Artificial intelligenc e (AI) is providing tremendous breakthroughs\, making data analysis and au tomated responses possible across the digital continuum. SAGE is a Nationa l Science Foundation project to build a national cyberinfrastructure for p rogramable edge computing. This new edge computing programming framework gives scientists a new tool for exploring the impacts of global urbanizati on\, natural disasters such as flooding and wildfires\, and climate change on natural ecosystems and city infrastructure.\n\nhttps://events.chpc.ac. za/event/113/contributions/1784/ LOCATION:CSIR ICC ICC-G-Emerald - Emerald Auditorium URL:https://events.chpc.ac.za/event/113/contributions/1784/ END:VEVENT BEGIN:VEVENT SUMMARY:Q&A DTSTART;VALUE=DATE-TIME:20221201T104500Z DTEND;VALUE=DATE-TIME:20221201T110000Z DTSTAMP;VALUE=DATE-TIME:20260413T054000Z UID:indico-contribution-113-1771@events.chpc.ac.za DESCRIPTION:https://events.chpc.ac.za/event/113/contributions/1771/ LOCATION:CSIR ICC ICC-U-Crystal+Garnet - Crystal+Garnet Room URL:https://events.chpc.ac.za/event/113/contributions/1771/ END:VEVENT BEGIN:VEVENT SUMMARY:Luke Borcjes DTSTART;VALUE=DATE-TIME:20221202T101000Z DTEND;VALUE=DATE-TIME:20221202T102000Z DTSTAMP;VALUE=DATE-TIME:20260413T054000Z UID:indico-contribution-113-1782@events.chpc.ac.za DESCRIPTION:https://events.chpc.ac.za/event/113/contributions/1782/ LOCATION:CSIR ICC ICC-U-Crystal+Garnet - Crystal+Garnet Room URL:https://events.chpc.ac.za/event/113/contributions/1782/ END:VEVENT BEGIN:VEVENT SUMMARY:Mentoring Past Imposter Syndrome to Expand the HPC Workforce DTSTART;VALUE=DATE-TIME:20221130T101500Z DTEND;VALUE=DATE-TIME:20221130T104500Z DTSTAMP;VALUE=DATE-TIME:20260413T054000Z UID:indico-contribution-113-1781@events.chpc.ac.za DESCRIPTION:Speakers: Jay Lofstead (Sandia National Laboratories)\nThe HPC field is growing far faster than we can adequately train the most qualifi ed candidates. To better address these workforce needs\, mentoring people that have potential\, but do not believe they can achieve in or even belon g in HPC can help both address the workforce needs as well as enhance and expand representation. This talk focuses on developing students and even e arly career people into successful\, confident HPC community members.\n\nh ttps://events.chpc.ac.za/event/113/contributions/1781/ LOCATION:CSIR ICC ICC-G-Emerald - Emerald Auditorium URL:https://events.chpc.ac.za/event/113/contributions/1781/ END:VEVENT BEGIN:VEVENT SUMMARY:Computing Infrastructure at the South Africa Radio Astronomy Obser vatory: Past\, Present and Future DTSTART;VALUE=DATE-TIME:20221130T114500Z DTEND;VALUE=DATE-TIME:20221130T121500Z DTSTAMP;VALUE=DATE-TIME:20260413T054000Z UID:indico-contribution-113-1780@events.chpc.ac.za DESCRIPTION:Speakers: Jeremy Main (SARAO / SKA South Africa)\nThe Square K ilometer Array (SKA) global mega science project stands to have a continue d significant positive impact on the South African science\, research\, te chnology and innovation space. A computing infrastructure perspective of t he past\, present and future of those impacts will be presented. As the So uth African Radio Astronomy Observatory pivots to become the host of the S KA1 Mid frequency radio telescope\, we look at SARAO's roles and future di rections.\n\nhttps://events.chpc.ac.za/event/113/contributions/1780/ LOCATION:CSIR ICC ICC-G-Emerald - Emerald Auditorium URL:https://events.chpc.ac.za/event/113/contributions/1780/ END:VEVENT BEGIN:VEVENT SUMMARY:HPC Market Overview and SC22 Reactions DTSTART;VALUE=DATE-TIME:20221130T131500Z DTEND;VALUE=DATE-TIME:20221130T134500Z DTSTAMP;VALUE=DATE-TIME:20260413T054000Z UID:indico-contribution-113-1776@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 “grand unification” of HPC\, AI\, cloud\, hyp erscale\, and enterprise\, and reactions from SC22.\n\nhttps://events.chpc .ac.za/event/113/contributions/1776/ LOCATION:CSIR ICC ICC-G-DIAMOND - Diamond Auditorium URL:https://events.chpc.ac.za/event/113/contributions/1776/ END:VEVENT BEGIN:VEVENT SUMMARY:To be Confirmed DTSTART;VALUE=DATE-TIME:20221130T101500Z DTEND;VALUE=DATE-TIME:20221130T104500Z DTSTAMP;VALUE=DATE-TIME:20260413T054000Z UID:indico-contribution-113-1775@events.chpc.ac.za DESCRIPTION:Speakers: Lawrence Pratt (CSIR)\nTBC\n\nhttps://events.chpc.ac .za/event/113/contributions/1775/ LOCATION:CSIR ICC ICC-U-Crystal+Garnet - Crystal+Garnet Room URL:https://events.chpc.ac.za/event/113/contributions/1775/ END:VEVENT BEGIN:VEVENT SUMMARY:To be Confirmed DTSTART;VALUE=DATE-TIME:20221130T094500Z DTEND;VALUE=DATE-TIME:20221130T101500Z DTSTAMP;VALUE=DATE-TIME:20260413T054000Z UID:indico-contribution-113-1774@events.chpc.ac.za DESCRIPTION:Speakers: Speaker TBC ()\nTBC\n\nhttps://events.chpc.ac.za/eve nt/113/contributions/1774/ LOCATION:CSIR ICC ICC-U-Crystal+Garnet - Crystal+Garnet Room URL:https://events.chpc.ac.za/event/113/contributions/1774/ END:VEVENT BEGIN:VEVENT SUMMARY:To be Confirmed DTSTART;VALUE=DATE-TIME:20221130T084500Z DTEND;VALUE=DATE-TIME:20221130T091500Z DTSTAMP;VALUE=DATE-TIME:20260413T054000Z UID:indico-contribution-113-1773@events.chpc.ac.za DESCRIPTION:Speakers: Speaker TBC ()\nTBC\n\nhttps://events.chpc.ac.za/eve nt/113/contributions/1773/ LOCATION:CSIR ICC ICC-U-Crystal+Garnet - Crystal+Garnet Room URL:https://events.chpc.ac.za/event/113/contributions/1773/ END:VEVENT BEGIN:VEVENT SUMMARY:Cost Optimization for High Performance Computing and Research (Cap ex to Opex Conversion) DTSTART;VALUE=DATE-TIME:20221130T081500Z DTEND;VALUE=DATE-TIME:20221130T084500Z DTSTAMP;VALUE=DATE-TIME:20260413T054000Z UID:indico-contribution-113-1772@events.chpc.ac.za DESCRIPTION:Speakers: Andile Ngcaba (Convergence Partners Investments)\nHi gh Performance Computing for Research has always been a capital heavy expe nditure\, which includes servers\, construction of Large Data centers and also other components to support this infrastructure such as 24*7 power an d cooling. Today's research involves running high performance server clust ers in a grid to solve complicated problems\, but the access to capital fo r researchers to build scalable higher performance computing grids is alwa ys a challenge. This topic largely focuses on how high performance computi ng clusters can be scaled and built using Opex based models allowing a muc h more user friendly charging model based on usage requirements. This allo ws sharing of infrastructure across multiple research organizations and al so to leverage innovations in Data centers such as cooling\, Quantum compu ting\, etc.\n\nhttps://events.chpc.ac.za/event/113/contributions/1772/ LOCATION:CSIR ICC ICC-U-Crystal+Garnet - Crystal+Garnet Room URL:https://events.chpc.ac.za/event/113/contributions/1772/ END:VEVENT BEGIN:VEVENT SUMMARY:NVIDIA Cloud Native Computing DTSTART;VALUE=DATE-TIME:20221201T102500Z DTEND;VALUE=DATE-TIME:20221201T104500Z DTSTAMP;VALUE=DATE-TIME:20260413T054000Z UID:indico-contribution-113-1752@events.chpc.ac.za DESCRIPTION:Speakers: Yossi Avni (Nvidia)\nExtracting the highest possible performance from supercomputing systems while achieving efficient utiliza tion has traditionally been incompatible with the secured\, multi-tenant a rchitecture of modern cloud computing. A cloud-native supercomputing platf orm provides the best of both worlds for the first time\, combining peak p erformance and cluster efficiency with a modern zero-trust model for secur ity isolation and multi-tenancy. The NVIDIA Cloud-Native Supercomputing pl atform leverages the NVIDIA® BlueField® data processing unit (DPU) archi tecture with high-speed\, low-latency NVIDIA Quantum InfiniBand networking to deliver bare-metal performance\, user management and isolation\, data protection\, and on-demand high-performance computing (HPC) and AI service s—simply and securely.\n\nhttps://events.chpc.ac.za/event/113/contributi ons/1752/ LOCATION:CSIR ICC ICC-G-Emerald - Emerald Auditorium URL:https://events.chpc.ac.za/event/113/contributions/1752/ END:VEVENT BEGIN:VEVENT SUMMARY:Renewable Energy Optimisation DTSTART;VALUE=DATE-TIME:20221201T100500Z DTEND;VALUE=DATE-TIME:20221201T102500Z DTSTAMP;VALUE=DATE-TIME:20260413T054000Z UID:indico-contribution-113-1705@events.chpc.ac.za DESCRIPTION:Speakers: Richard Millham (Durban University of Technology)\nT he devastating impact of climate change\, based primarily on the overuse o f fossil fuels\, has increased awareness of and interest in renewable ener gy. This awareness is increased by recent problems in South Africa\, among other nations. Renewable energy sources face the “energy trilemma" of e nergy supply\, economics\, and environmental concerns that must be address ed through an optimal configuration of a hybrid renewable energy system (H RES) to meet these concerns. In this talk\, we will first outline how the use of renewable energy resources may mitigate climate change. Then\, we w ill discuss how bio-inspired algorithms may play a role in smart energy ma nagement of both these renewable energy resources (the production side) an d smart energy consumption (the load side) through dynamic optimization of load shifting and through optimal utilization of available renewable ener gy resources respectively. Load-shifting is accomplished\, via a bio-inspi red algorithm\, to shift peak load demand to off-peak hours using agent ne gotiation of appliance operational times and thus\, reduce the peak load d emand. In terms of production\, an optimal configuration of renewable ener gy components is needed in terms of optimal cost and sizing to meet this l oad demand via a “check-reduce-improve” framework using the newly-deve loped bio-inspired algorithm of Spider-Prey. The first step of this cost a nd sizing is through a feasibility study where streaming IOT data of envir onmental data at a specified locale is pre-processed and then reviewed and mapped to a preliminary system design (the “check” phase). Based on t his mapping\, a performance analysis of the system configuration parameter s is conducted (the “reduce” phase). Finally\, using the Spider-Prey a lgorithm\, an improved solution to the optimisation problem of the “ener gy trilemma” is evaluated (the “improve” phase). To validate this op timised system design\, extrapolated sensor data\, supplemented with histo rical data\, of environmental conditions at that locale is applied to diff erent scenarios\, utilising different arrangements of renewable energy com ponents\, along with known costing and sizing models in order to find the best HRES configuration. From our work\, it was determined that a composit e of a select number of solar panels\, wind turbines\, a biomass gasifier\ , and a collection of batteries was able to provide an optimal combination of the least system cost with the highest reliability in terms of meeting load demand. \nAlthough bio-inspired algorithms have been applied in many domains\, such as in this case of an optimal hybrid renewable system\, th e swarm-based nature of the algorithms used in this domain consist of many independent agents using collective intelligence to achieve a goal. The i ndependence of actions leads naturally to parallelism and the potential sl ow convergence of these algorithms leads to the need for high-performance computing in order to assist the algorithms to attain their goals faster a nd\, thus\, make them a more viable option in many domains. This area will be touched on in the final stage of the talk.\n\nhttps://events.chpc.ac.z a/event/113/contributions/1705/ LOCATION:CSIR ICC ICC-U-Crystal+Garnet - Crystal+Garnet Room URL:https://events.chpc.ac.za/event/113/contributions/1705/ END:VEVENT BEGIN:VEVENT SUMMARY:A Citizen-Centric Open Data Portal for Rural Digital Users DTSTART;VALUE=DATE-TIME:20221201T134000Z DTEND;VALUE=DATE-TIME:20221201T140500Z DTSTAMP;VALUE=DATE-TIME:20260413T054000Z UID:indico-contribution-113-1770@events.chpc.ac.za DESCRIPTION:Speakers: Nobert Jere (Walter Sisulu University)\nThere is a l ot of data that is collected and available on many systems. This data coul d be collected\nby certain systems and users could knowingly or unknowingl y be sharing the data. Nowadays\nwith high cases of cybercrime as many use rs are accessing services online\, the issues of data\nmanagement become c ritical. On the other hand\, users do not want to provide same data on\nre lated systems over and over again. As a result\, data managers propose ope n data environment.\nOpen data is data that can be freely used\, re-used a nd redistributed by anyone. In order for any\ndata to be considered open\, it must always be available and downloadable via the internet in a\nmodif iable format. The availability of open data has provided benefits to citiz ens\, organisations\nand even governments as it gives easier access to inf ormation and allows for the improvement\nof services while promoting a cul ture of innovation. Even though open data has a number of\nbenefits\, the biggest challenge facing open data is privacy. Privacy can be defined as t he\nappropriate use of personal data. Opening access to such data involves trading off privacy for\nutility or vice versa. Releasing the raw data al lows for better engagement with the data however\nthis creates privacy ris ks. Protecting the data limits the usefulness of the data. Therefore\, a\n balance between privacy and utility must be maintained. It therefore becom es challenging to\nrelease data while ensuring that it is useful. This stu dy aims to understand the limits of open data\nin terms of excluding criti cal users. This study investigates the currently existing South African\no pen data repositories to identify users participation and privacy risks th at exist in terms of the\ndata fields that are released in the datasets. T he study is rural digital users centred and puts them\nat the centre of op en data.\nThe key research question are:\n\n - How can the rural citizens participate and contribute to open data\n portal development? \n - What is the role of digital rural users in\n creating open data portal toward s system usage and trust?\n - Who are the key stakeholders in open data within South Africa and how they engage citizens?\n\nThe proposed approac h is a qualitative co-design approach through citizens engagements. We\nca tegorise and group the participants according to their skills and understa nding of digital\nsystems and data management. We then experiment and educ ate the citizens on open data\,\ndata management and data security mechani sms and alert them on the best practices. The study\nis expected to produc e guidelines on how to engage the citizens within the open data\nenvironme nt. A citizen centric open data portal is formulated and evaluated by key stakeholders.\n\nhttps://events.chpc.ac.za/event/113/contributions/1770/ LOCATION:CSIR ICC ICC-U-Crystal+Garnet - Crystal+Garnet Room URL:https://events.chpc.ac.za/event/113/contributions/1770/ END:VEVENT BEGIN:VEVENT SUMMARY:Building a dynamic cybersecurity capability in healthcare software services DTSTART;VALUE=DATE-TIME:20221201T131500Z DTEND;VALUE=DATE-TIME:20221201T134000Z DTSTAMP;VALUE=DATE-TIME:20260413T054000Z UID:indico-contribution-113-1749@events.chpc.ac.za DESCRIPTION:Speakers: Lawrence` Nyakasoka ()\nHealthcare firms need to res pond faster to the rapidly changing threat landscape. Risks to patient pri vacy and safety are increasing due to recent cyber-attacks. Healthcare fir ms are lagging in building cybersecurity capabilities prescribed by best p ractice approaches. This case study aims to identify the barriers to build ing a dynamic cybersecurity capability within a South African healthcare s oftware services firm. The firm provides cloud-based software as a service (SaaS) solutions to medical practitioners and hospitals. The study used i nterviews and document analysis as primary data collection methods. Themat ic analysis guided by a dynamic capability perspective was used to identif y the internal and external barriers that could impede building a dynamic cybersecurity capability at a healthcare software services firm. The resea rch recommends interventions to address cybersecurity barriers in healthca re software services firms.\n\nhttps://events.chpc.ac.za/event/113/contrib utions/1749/ LOCATION:CSIR ICC ICC-U-Crystal+Garnet - Crystal+Garnet Room URL:https://events.chpc.ac.za/event/113/contributions/1749/ END:VEVENT BEGIN:VEVENT SUMMARY:High Performance Computing & AI at HPE and convergence of workload s DTSTART;VALUE=DATE-TIME:20221201T084500Z DTEND;VALUE=DATE-TIME:20221201T091500Z DTSTAMP;VALUE=DATE-TIME:20260413T054000Z UID:indico-contribution-113-1768@events.chpc.ac.za DESCRIPTION:Speakers: Olivier Blondel ()\nThis talk will provide an update on the way HPE is working with customers to provide technology and soluti ons to address the most challenging problems in high performance computing . It will include the need to make use of heterogeneous computing elements \, and how AI can be combined with HPC to enable end users to be more prod uctive.\n\nhttps://events.chpc.ac.za/event/113/contributions/1768/ LOCATION:CSIR ICC ICC-G-Emerald - Emerald Auditorium URL:https://events.chpc.ac.za/event/113/contributions/1768/ END:VEVENT BEGIN:VEVENT SUMMARY:Computational Science for Graduate level training DTSTART;VALUE=DATE-TIME:20221130T094500Z DTEND;VALUE=DATE-TIME:20221130T101500Z DTSTAMP;VALUE=DATE-TIME:20260413T054000Z UID:indico-contribution-113-1767@events.chpc.ac.za DESCRIPTION:Speakers: Clement Onime (International Centre for Theoretical Physics (ICTP))\nThis talk will highlight the ongoing efforts of the ICTP (International Centre for Theoretical Physics\, Trieste\, Italy) and partn er \ninstitutions in developing graduate level academic programmes on HPC and \nrelated fields.\n\nhttps://events.chpc.ac.za/event/113/contributions /1767/ LOCATION:CSIR ICC ICC-G-Emerald - Emerald Auditorium URL:https://events.chpc.ac.za/event/113/contributions/1767/ END:VEVENT BEGIN:VEVENT SUMMARY:AutoX: Towards new tools and infrastructure for seamless reproduci bility of Computational Research DTSTART;VALUE=DATE-TIME:20221130T081500Z DTEND;VALUE=DATE-TIME:20221130T084500Z DTSTAMP;VALUE=DATE-TIME:20260413T054000Z UID:indico-contribution-113-1766@events.chpc.ac.za DESCRIPTION:Speakers: Hakizumwami Birali Runesha (University of Chicago)\n The advancement of scientific knowledge is driven by the ability to reprod uce research findings. While there is an agreement about the importance of reproducibility\, the core challenge\, however\, is that reproducible art ifacts are usually put together after the research has been completed coup led with the lack of standards and motivation to carry out the task after the research has been completed. There is a need to develop a new culture for scientists that fosters incorporating reproducibility from the beginni ng to the end of their research endeavor. The amount of effort required to put together reproducible artifacts for published results and the lack of incentives have prevented the scientific community from sharing reproduci ble results\, therefore hindering trustworthiness of their results.\n\nDur ing this presentation we will summarize the key takeaways of the 2019 Nati onal Academies of Science Engineering and Medicine report on reproducibili ty. We will review the catalogue of existing provenance capture and replay tools\, discuss the experience of existing reproducibility efforts and wh at we see as existing gaps. We will share the preliminary results of our p roject to develop a set of tools that aim to seamlessly capture reproducib le artifacts and thus lower the barriers for capturing artifacts while doi ng research. We will also conclude by sharing our current efforts to build an ecosystem of tools and services to support reproducibility and a summa ry of recent discussions held at a BoF we organized at the Supercomputing conference-SC22.\n\nhttps://events.chpc.ac.za/event/113/contributions/1766 / LOCATION:CSIR ICC ICC-G-Emerald - Emerald Auditorium URL:https://events.chpc.ac.za/event/113/contributions/1766/ END:VEVENT BEGIN:VEVENT SUMMARY:HPC Ecosystems Birds-of-a-Feather (BoF) DTSTART;VALUE=DATE-TIME:20221201T131500Z DTEND;VALUE=DATE-TIME:20221201T141500Z DTSTAMP;VALUE=DATE-TIME:20260413T054000Z UID:indico-contribution-113-1764@events.chpc.ac.za DESCRIPTION:Speakers: Bryan Johnston (CHPC)\nThe HPC Ecosystems Project (a nd the SADC CyberInfrastructure Initiative) is responsible for the repurpo sing and distribution of decommissioned tier-1 HPC systems. A significant part of the project's scope is the training of an HPC System Administrator workforce. This session will bring members of the partner sites together to discuss the general progress of the project\, as well as identifying th e needs of the community members to assist the Project Leadership in plann ing engagements and preparing resources for the upcoming year.\n\nThe sess ion will include a presentation on a formal evaluation of access to HPC re sources for Historically Disadvantaged Institutions (HDIs) in South Africa \, as well as feedback from partner sites and the HPC Ecosystems community \, and discussions on future plans and needs of the community. There will be a group photo at the end of the session.\n\nhttps://events.chpc.ac.za/e vent/113/contributions/1764/ LOCATION:CSIR ICC ICC-G-Emerald - Emerald Auditorium URL:https://events.chpc.ac.za/event/113/contributions/1764/ END:VEVENT BEGIN:VEVENT SUMMARY:HPC Education Birds-of-a-Feather (BoF) DTSTART;VALUE=DATE-TIME:20221201T114500Z DTEND;VALUE=DATE-TIME:20221201T124500Z DTSTAMP;VALUE=DATE-TIME:20260413T054000Z UID:indico-contribution-113-1765@events.chpc.ac.za DESCRIPTION:Speakers: Bryan Johnston (CHPC)\nThis session will bring membe rs of the HPC Education community together to discuss the establishment of a sustainable HPC Education Community of Practice for the African region. The session will identify the needs of members in the community through a n interactive discussion\, where members can share questions\, ideas\, and suggestions. The session will conclude with practical next steps for the establishment of a sustainable African HPC Education community\, and the o pportunity for community members to share resources\, collaborate\, and gr ow the impact of HPC Education in Africa.\n\nAnyone involved in HPC Educat ion / training and/or who want to establish a formal Community of Practice is encouraged to participate in this session.\n\nhttps://events.chpc.ac.z a/event/113/contributions/1765/ LOCATION:CSIR ICC ICC-G-Emerald - Emerald Auditorium URL:https://events.chpc.ac.za/event/113/contributions/1765/ END:VEVENT BEGIN:VEVENT SUMMARY:Seeking the balance between power consumption and performance DTSTART;VALUE=DATE-TIME:20221201T094500Z DTEND;VALUE=DATE-TIME:20221201T100500Z DTSTAMP;VALUE=DATE-TIME:20260413T054000Z UID:indico-contribution-113-1763@events.chpc.ac.za DESCRIPTION:Speakers: Kris Buggenhout (Dell Technologies)\nSeeking the bal ance between power consumption and performance. Is sacrificing a little bi t of performance while considerably reducing the power consumption accepta ble for research? A short study of the work that was done at the Universit y of Cambridge with our labs on reducing power consumption while maintaini ng acceptable performance numbers\, resulting in a initial listing in the top10 in the June 2022 listing.\n\nhttps://events.chpc.ac.za/event/113/co ntributions/1763/ LOCATION:CSIR ICC ICC-G-Emerald - Emerald Auditorium URL:https://events.chpc.ac.za/event/113/contributions/1763/ END:VEVENT BEGIN:VEVENT SUMMARY:KEYNOTE: Exploring the integration of 4IR technologies in the clas sroom for the advancement of STEM education DTSTART;VALUE=DATE-TIME:20221202T070000Z DTEND;VALUE=DATE-TIME:20221202T080000Z DTSTAMP;VALUE=DATE-TIME:20260413T054000Z UID:indico-contribution-113-1762@events.chpc.ac.za DESCRIPTION:Speakers: Sune Von Solms (University of Johannesburg)\nThe Fou rth Industrial Revolution (4IR) is disrupting every known industry and pro fession\, including that of science\, technology\, engineering and mathema tics (STEM). Digital technologies are rapidly changing the way industries and professions operate. However\, studies found a low level of adoption o f 4IR technologies in STEM education in South Africa due to limited awaren ess about the critical role that innovative technologies can play in the S TEM education space. \n\nSTEM education in South Africa is overdue for rad ical transformation and the adoption of 4IR technologies in teaching and l earning pedagogy\, which includes curriculum integration\, teaching method s and assessments\, that can ensure current and future South African gradu ates are sufficiently knowledgeable and skilled to cope with the challenge s they will face.\n\nThis talk aims to explore the possibilities of integr ating 4IR technologies in the classroom and the advantages it offers to im prove STEM curriculum\, teaching and assessment in the future.\n\nhttps:// events.chpc.ac.za/event/113/contributions/1762/ LOCATION:CSIR ICC ICC-G-DIAMOND - Diamond Auditorium URL:https://events.chpc.ac.za/event/113/contributions/1762/ END:VEVENT BEGIN:VEVENT SUMMARY:KEYNOTE: Evolving past Exascale DTSTART;VALUE=DATE-TIME:20221201T143000Z DTEND;VALUE=DATE-TIME:20221201T153000Z DTSTAMP;VALUE=DATE-TIME:20260413T054000Z UID:indico-contribution-113-1758@events.chpc.ac.za DESCRIPTION:Speakers: Trish Damkroger (Hewlett Packard Enterprise)\nJoin T rish Damkroger\, Chief Product Officer\, SVP and GM of HPE’s High Perfor mance Platforms\, Solutions and Engineering team as we discuss the art of the possible.\nFocusing on purpose-built solutions for your organization\, we will cover our acceleration into the Exascale Era and how to realize n ew business value and gain insights with the convergence of modelling & si mulation and AI. We will be presenting on how you can access supercomputin g technology and empower your most complex workloads with optimized soluti ons.\nAlso\, find out how HPE will help CHPC research community to work wi th the pre-Exascale community. This community of converged HPC supercompu ting is changing how we look at science and how we start providing insight and benefits beyond academics and bringing those benefits to humanity.\n\ nhttps://events.chpc.ac.za/event/113/contributions/1758/ LOCATION:CSIR ICC ICC-G-DIAMOND - Diamond Auditorium URL:https://events.chpc.ac.za/event/113/contributions/1758/ END:VEVENT BEGIN:VEVENT SUMMARY:KEYNOTE: Workflows for Science: How Workflows Need to Adapt to Mod ern Application Needs DTSTART;VALUE=DATE-TIME:20221201T070000Z DTEND;VALUE=DATE-TIME:20221201T080000Z DTSTAMP;VALUE=DATE-TIME:20260413T054000Z UID:indico-contribution-113-1674@events.chpc.ac.za DESCRIPTION:Speakers: Ewa Deelman (University of Southern California)\nSci entific workflows are now a common tool used by domain scientists in a num ber of disciplines. They are appealing because they enable users to think at high level of abstraction\, composing complex applications from indivi dual application components. Workflow management systems (WMSs)\, such as Pegasus (http://pegasus.isi.edu) automate the process of executing these w orkflows on modern cyberinfrastructure. They take these high-level\, resou rce-independent descriptions and map them onto the available heterogeneous compute and storage resources: campus clusters\, high-performance systems \, high-throughput resources\, clouds\, and the edge. WMSs can select the appropriate resources based on their architecture\, availability of key so ftware\, performance\, reliability\, availability of cycles\, storage spac e\, among others. With the help of compiler-inspired algorithms\, they ca n determine what data to save during execution\, and which are no longer n eeded. Similarly to compiler solutions\, they can generate an executable workflow that is tailored to the target execution environment\, taking int o account reliability\, scalability\, and performance. This talk will des cribe the key concepts used in the Pegasus WMS to help automate the execut ion of workflows in distributed and heterogeneous environments. It will s howcase applications that have benefited from Pegasus’ automation as wel l as touch upon new types of science applications and their needs. The ta lk will explore potential use of artificial intelligence and machine learn ing approaches to improve the level of automation in workflow management s ystems.\n\nhttps://events.chpc.ac.za/event/113/contributions/1674/ LOCATION:CSIR ICC ICC-G-DIAMOND - Diamond Auditorium URL:https://events.chpc.ac.za/event/113/contributions/1674/ END:VEVENT BEGIN:VEVENT SUMMARY:NICIS Welcoming Address DTSTART;VALUE=DATE-TIME:20221130T065000Z DTEND;VALUE=DATE-TIME:20221130T070500Z DTSTAMP;VALUE=DATE-TIME:20260413T054000Z UID:indico-contribution-113-1756@events.chpc.ac.za DESCRIPTION:Speakers: Happy Sithole (NICIS)\nNational Integrated Cyber-Inf rastructure System (NICIS) welcoming address by Centre Manager\, Dr Happy Sithole\n\nhttps://events.chpc.ac.za/event/113/contributions/1756/ LOCATION:CSIR ICC ICC-G-DIAMOND - Diamond Auditorium URL:https://events.chpc.ac.za/event/113/contributions/1756/ END:VEVENT BEGIN:VEVENT SUMMARY:DSI Opening Address DTSTART;VALUE=DATE-TIME:20221130T063500Z DTEND;VALUE=DATE-TIME:20221130T065000Z DTSTAMP;VALUE=DATE-TIME:20260413T054000Z UID:indico-contribution-113-1755@events.chpc.ac.za DESCRIPTION:Speakers: Imraan Patel (DSI)\nDepartment of Science and Innova tion opening address by Deputy Director General Imraan Patel\n\nhttps://ev ents.chpc.ac.za/event/113/contributions/1755/ LOCATION:CSIR ICC ICC-G-DIAMOND - Diamond Auditorium URL:https://events.chpc.ac.za/event/113/contributions/1755/ END:VEVENT BEGIN:VEVENT SUMMARY:Opening DTSTART;VALUE=DATE-TIME:20221130T063000Z DTEND;VALUE=DATE-TIME:20221130T063500Z DTSTAMP;VALUE=DATE-TIME:20260413T054000Z UID:indico-contribution-113-1754@events.chpc.ac.za DESCRIPTION:Speakers: Mervyn Christoffels (CHPC)\nOpening\n\nhttps://event s.chpc.ac.za/event/113/contributions/1754/ LOCATION:CSIR ICC ICC-G-DIAMOND - Diamond Auditorium URL:https://events.chpc.ac.za/event/113/contributions/1754/ END:VEVENT BEGIN:VEVENT SUMMARY:Simulation of mesoscale convective systems with the Conformal Cubi c Atmospheric Model on the CHPC DTSTART;VALUE=DATE-TIME:20221130T121500Z DTEND;VALUE=DATE-TIME:20221130T124500Z DTSTAMP;VALUE=DATE-TIME:20260413T054000Z UID:indico-contribution-113-1680@events.chpc.ac.za DESCRIPTION:Speakers: Patience Mulovhedzi (South African Weather Service) \nMesoscale convective systems (MCSs) are defined as cloud bands that prod uce flanking precipitation within a scale of 100 km or more and comprise a n ensemble of thunderstorms. MCSs may also be associated with severe weath er such as tornadoes\, hail\, straight-line winds\, squall lines\, mesosca le convective complexes and flash flooding. MCSs are a major contributor t owards the total observed global rainfall and to the hydrological cycle at large. Numerical Weather Prediction (NWP) models play a critical role in skilfully and timeously predicting such events to help prevent or mitigate associated hazards. High resolution NWP models are equipped with the abil ity to explicitly represent some physical processes within convective syst ems by means of parameterization schemes. Convection parameterization sche mes play a more critical role in representing the pattern\, characteristic s\, processes and temporal variation of convective precipitation in NWP mo dels. This study aims to investigate the capability of the Conformal Cubic Atmospheric Model (CCAM) in simulating cases of severe MSCs over South Af rica. The CCAM comprises a convection parameterization scheme\, CSIRO9\, w hich has different versions. The CCAM was setup to run with four versions of the CSIRO9 on the CHPC. The results will show the CCAM performance in s imulating these MCSs\, the benefits and shortcomings of each version of th e CCAM convection scheme and the effectiveness of the CHPC in running NWP models.\n\nhttps://events.chpc.ac.za/event/113/contributions/1680/ LOCATION:CSIR ICC ICC-L-Amethyst - Amethyst Room URL:https://events.chpc.ac.za/event/113/contributions/1680/ END:VEVENT BEGIN:VEVENT SUMMARY:Application of high-performance computing at the Council for Geosc ience DTSTART;VALUE=DATE-TIME:20221202T085500Z DTEND;VALUE=DATE-TIME:20221202T091500Z DTSTAMP;VALUE=DATE-TIME:20260413T054000Z UID:indico-contribution-113-1710@events.chpc.ac.za DESCRIPTION:Speakers: Emmanuel Sakala (Council for Geoscience)\nThe Counci l for Geoscience (CGS) is mandated to develop and publish world-class geos cience knowledge products and to render geoscience-related services to the South African public and industry. In order for the CGS to fulfil this ma ndate and to advance the geoscience field within South Africa and beyond\, the organisation is utilising high-performing computation resources provi ded by the Department of Science and Innovation\, Centre for High-Performa nce Computing (CHPC). Application of High-performing computation is part o f the geoscience innovation initiative which is meant to address some of t he societal challenges the world is facing. The paper highlights the conce pt\, history\, present and future of geoscience innovation. High-computing resources are being used in geophysics\, particularly in airborne electro magnetic and magnetotelluric data inversion and also for seismological dat a processing. Geophysics is a science which uses physical measurements to understand the behaviour of the Earth. This is done by making massive obse rvation datasets and large-scale computer simulations to improve our knowl edge of the Earth. Most of the research projects involve computer-intensiv e processing and inversion of terabyte-scale geophysical data recorded by millions of recording points. This often requires parallel architectures s uch as the one at CHPC.\n\nhttps://events.chpc.ac.za/event/113/contributio ns/1710/ LOCATION:CSIR ICC ICC-L-Amethyst - Amethyst Room URL:https://events.chpc.ac.za/event/113/contributions/1710/ END:VEVENT BEGIN:VEVENT SUMMARY:The use of Cheminformatics in understanding the molecular mechanis ms of South African Phytochemicals in the treatment of metabolic diseases DTSTART;VALUE=DATE-TIME:20221130T114500Z DTEND;VALUE=DATE-TIME:20221130T121500Z DTSTAMP;VALUE=DATE-TIME:20260413T054000Z UID:indico-contribution-113-1671@events.chpc.ac.za DESCRIPTION:Speakers: Pritika Ramharack (South African Medical Research Co uncil)\n1. Biomedical Research and Innovation Platform (BRIP)\, South Afri can Medical Research Council (SAMRC)\, Tygerberg 7505\, South Africa\n2. P harmaceutical Sciences\, School of Health Sciences\, University of KwaZulu -Natal\, Westville Campus\, Durban 4001\, South Africa\n\n*Correspondence: pritika.ramharack@mrc.ac.za\; +27219380206\n\nCheminformatics has gained traction over recent years. Under the large umbrella term\, there are a pl ethora of in silico techniques that can be used to gather information at t he molecular level\, with high importance in numerous research niches incl uding biology\, biochemistry and drug discovery. Our research group utili zes these techniques within the drug discovery domain. Our current researc h focuses on the molecular understanding of phytochemicals identified in S outh African traditional plant extracts. This includes the pharmacokinetic and toxicological profiling of compounds\, biological target identificati on and network pharmacology analysis\, as well as mechanistic analysis thr ough molecular dynamic simulations. The CHPC has been vital in this pipeli ne. Hosting the AMBER suite\, CHPC has created the environment to set up\, equilibrate\, run and analyze these biomolecular simulations. The GPU ver sion offered through AMBER has also optimized and shortened the time requi red for trajectory generation. Our research group currently has 11 active members on the cluster that have used 587973 CPUh over the last 3 months. This has allowed our students to train and run their research without the need of expensive equipment. The above-mentioned biomolecular cheminformat ics techniques\, through CHPC\, have and will continue to revolutionize dr ug lead optimization\, personalized therapy\, and infectious disease thera peutics within Africa.\n\nhttps://events.chpc.ac.za/event/113/contribution s/1671/ LOCATION:CSIR ICC ICC-L-Amethyst - Amethyst Room URL:https://events.chpc.ac.za/event/113/contributions/1671/ END:VEVENT BEGIN:VEVENT SUMMARY:Exploiting a Tripartite Alliance of Computational Chemistry\, Chem informatics and Machine Learning for Computer-Aided Catalyst Discovery DTSTART;VALUE=DATE-TIME:20221202T103000Z DTEND;VALUE=DATE-TIME:20221202T110000Z DTSTAMP;VALUE=DATE-TIME:20260413T054000Z UID:indico-contribution-113-1693@events.chpc.ac.za DESCRIPTION:Speakers: Adedapo Adeyinka (University of Johannesburg)\nCatal ysis plays a huge role in the chemical industry as almost every chemical p rocess utilized to produce household\, industrial and consumer products re quires the use of a catalyst. Hence\, the discovery and/or development of new catalysts is a very active field with various experimental strategies/ techniques employed\, including synthesis\, spectroscopic characterization \, and reaction optimization. Although computational chemistry methods all ow a speedy implementation of this process\, the rise of Chemoinformatics as well as machine learning techniques in chemistry in recent years\, in a ddition\, have created a pathway to accelerate this discovery process even further. Hence in this talk\, I will present how a tripartite alliance of these three methods – computational chemistry\, chemoinformatics and ma chine learning can be explored to search for more active catalysts for imp ortant chemical processes using non-heme Fe(II) alkane oxidation catalysts as a case study.\n\nhttps://events.chpc.ac.za/event/113/contributions/169 3/ LOCATION:CSIR ICC ICC-L-Amethyst - Amethyst Room URL:https://events.chpc.ac.za/event/113/contributions/1693/ END:VEVENT BEGIN:VEVENT SUMMARY:A movement to highlight the importance of research software and th e people who develop it DTSTART;VALUE=DATE-TIME:20221130T084500Z DTEND;VALUE=DATE-TIME:20221130T091500Z DTSTAMP;VALUE=DATE-TIME:20260413T054000Z UID:indico-contribution-113-1753@events.chpc.ac.za DESCRIPTION:Speakers: Anelda Van der Walt (Talarify)\, Nomalungelo Maphang a (Talarify)\nAccording to studies in the UK and US\, research software un derpins ninety-five percent of research. Thirty-three percent of internati onal research produces new code. However\, research software still has to be recognised as a first-class research output\, and the researchers who d evelop it often find themselves in dead-end career paths.\n\nIn 2012\, res earch software engineers in the United Kingdom embarked on a mission to ch ange the academic system to (1) recognise the value of research software\; (2) recognise the role research software engineers play as part of resear ch groups\; and (3) develop a career path for research software engineers. Research software engineers (RSEs) typically spend most of their time on software development. They often have formal training in a specific resear ch discipline and understand nuances of the field in which they work\, whi ch aids in developing appropriate software.\n\nNotable organisations that make up the global RSE community include the United Kingdom’s Software S ustainability Institute\, various country- and region-specific RSE Associa tions\, the Society of Research Software Engineering (SocRSE) and the Rese arch Software Association (ReSA). The Research Software and Systems Engine ering Africa (RSSE Africa) community was established in 2019 and offers an online forum and regular community meetups for African RSSEs to connect a nd learn.\n\nIn 2020 ReSA published an initial mapping of research softwar e initiatives (including projects\, communities\, and funders) for the Glo bal North. The exercise was repeated in 2022 for the Global South. The sec ond round of mapping increased awareness of research software initiatives on the African continent\, but significant gaps still exist. Talarify is b uilding on the work done by ReSA to increase the visibility of research so ftware stakeholders in Africa. \n\nIn this presentation\, the authors will introduce various concepts related to RSEs\, and share resources such as software sustainability evaluation guidelines\, training opportunities\, a nd information about joining the African and global RSE communities. Membe rs of African research software communities\, teams\, and projects\, will be invited to add themselves to the global map. \n\nThe HPC community incl udes many nascent and established research software developers who may be unaware of existing and emerging opportunities and resources. The presenta tion will interest researchers who develop software\, professional softwar e developers in research environments\, research and infrastructure manage rs\, policymakers\, funders\, and more.\n\nhttps://events.chpc.ac.za/event /113/contributions/1753/ LOCATION:CSIR ICC ICC-G-Emerald - Emerald Auditorium URL:https://events.chpc.ac.za/event/113/contributions/1753/ END:VEVENT BEGIN:VEVENT SUMMARY:Q&A DTSTART;VALUE=DATE-TIME:20221201T104500Z DTEND;VALUE=DATE-TIME:20221201T110000Z DTSTAMP;VALUE=DATE-TIME:20260413T054000Z UID:indico-contribution-113-1751@events.chpc.ac.za DESCRIPTION:https://events.chpc.ac.za/event/113/contributions/1751/ LOCATION:CSIR ICC ICC-G-Emerald - Emerald Auditorium URL:https://events.chpc.ac.za/event/113/contributions/1751/ END:VEVENT BEGIN:VEVENT SUMMARY:Q&A DTSTART;VALUE=DATE-TIME:20221201T124500Z DTEND;VALUE=DATE-TIME:20221201T125500Z DTSTAMP;VALUE=DATE-TIME:20260413T054000Z UID:indico-contribution-113-1750@events.chpc.ac.za DESCRIPTION:https://events.chpc.ac.za/event/113/contributions/1750/ LOCATION:CSIR ICC ICC-U-Crystal+Garnet - Crystal+Garnet Room URL:https://events.chpc.ac.za/event/113/contributions/1750/ END:VEVENT BEGIN:VEVENT SUMMARY:HPC and Chemical Engineering Thermodynamics at MUT DTSTART;VALUE=DATE-TIME:20221202T083500Z DTEND;VALUE=DATE-TIME:20221202T085500Z DTSTAMP;VALUE=DATE-TIME:20260413T054000Z UID:indico-contribution-113-1625@events.chpc.ac.za DESCRIPTION:Speakers: Madison Lasich (Mangosuthu University of Technology) \nChemical engineering thermodynamics encompasses not only heat engines an d processes such as refrigeration and liquefaction\, but also phase equili bria and rigorous yet practical models of molecular behaviour. Accurately predicting the thermophysical properties and behaviour of materials is of key importance not just from a basic science perspective\, but also for th e accurate modelling and design of equipment and chemical processes. This contribution provides an overview of the application of high performance c omputing towards chemical engineering thermodynamics research at Mangosuth u University of Technology (MUT). Simulating large systems of particles at the molecular necessarily requires significant computational effort and r esources. By employing molecular simulations and computational fluid dynam ics\, researchers at MUT—in collaboration with scientists and engineers from other institutions such as the University of KwaZulu-Natal\, Durban U niversity of Technology\, and the Nuclear Energy Corporation of South Afri ca—have tackled a variety of problems including biogas cleaning\, clathr ate hydrate stability\, polymer fluorination\, renewable fuel gas upgradin g\, cement degradation\, and water pollution remediation. The importance o f high performance computing to this research is outlined and the impact o f selected research outputs is discussed\, including notable publications which received coverage in the popular science press and research which wa s of immediate and practical relevance to industry.\n\nhttps://events.chpc .ac.za/event/113/contributions/1625/ LOCATION:CSIR ICC ICC-L-Amethyst - Amethyst Room URL:https://events.chpc.ac.za/event/113/contributions/1625/ END:VEVENT BEGIN:VEVENT SUMMARY:Heat Transfer in Greenhouses DTSTART;VALUE=DATE-TIME:20221201T131500Z DTEND;VALUE=DATE-TIME:20221201T134500Z DTSTAMP;VALUE=DATE-TIME:20260413T054000Z UID:indico-contribution-113-1626@events.chpc.ac.za DESCRIPTION:Speakers: Sunita Kruger (University of Johannesburg)\nGreenhou ses have been used for centuries to protect plants from adverse weather co nditions and insects. Ventilation of greenhouses are of vital importance t o ensure quality crop production. If temperatures in a greenhouse is too h igh\, poor plant growth may result\, and an increased need for frequent wa tering. A mechanical ventilation system might be required to cool the insi de of the greenhouse. Natural ventilation is an alternative option used to ventilate greenhouses. Natural ventilation uses temperature and wind to c ontrol the indoor climate of greenhouses. Unfortunately greenhouses are ex tremely energy intensive. Energy costs are the third highest cost related to greenhouse crop cultivation. Reducing the operating costs of energy ass ociated with greenhouse cultivation may result in a price reduction of gre enhouse cultivated crops. Conducting experimental work on ventilation of g reenhouses can be costly and cumbersome. Using computational methods such as CFD (Computational Fluid Dynamics) to obtain qualitative and quantitati ve assessment of greenhouses can reduce costs and time involved. The compu ter cluster at the Centre for High Performance Computing has been used sin ce 2017 to conduct these numerical investigation using StarCCM+. Specifica lly heat transfer in single span greenhouses has been investigated as rega rds to various parameters. Aspects such as ventilator position\, differen ces between two and three-dimensional simulations\, and the effect of benc hes inside the greenhouse were investigated.\n\nhttps://events.chpc.ac.za/ event/113/contributions/1626/ LOCATION:CSIR ICC ICC-L-Amethyst - Amethyst Room URL:https://events.chpc.ac.za/event/113/contributions/1626/ END:VEVENT BEGIN:VEVENT SUMMARY:Q&A DTSTART;VALUE=DATE-TIME:20221202T125000Z DTEND;VALUE=DATE-TIME:20221202T130000Z DTSTAMP;VALUE=DATE-TIME:20260413T054000Z UID:indico-contribution-113-1730@events.chpc.ac.za DESCRIPTION:https://events.chpc.ac.za/event/113/contributions/1730/ LOCATION:CSIR ICC ICC-U-Crystal+Garnet - Crystal+Garnet Room URL:https://events.chpc.ac.za/event/113/contributions/1730/ END:VEVENT BEGIN:VEVENT SUMMARY:Sheunesu Makura DTSTART;VALUE=DATE-TIME:20221202T124000Z DTEND;VALUE=DATE-TIME:20221202T125000Z DTSTAMP;VALUE=DATE-TIME:20260413T054000Z UID:indico-contribution-113-1729@events.chpc.ac.za DESCRIPTION:https://events.chpc.ac.za/event/113/contributions/1729/ LOCATION:CSIR ICC ICC-U-Crystal+Garnet - Crystal+Garnet Room URL:https://events.chpc.ac.za/event/113/contributions/1729/ END:VEVENT BEGIN:VEVENT SUMMARY:Peace Azugo DTSTART;VALUE=DATE-TIME:20221202T123000Z DTEND;VALUE=DATE-TIME:20221202T124000Z DTSTAMP;VALUE=DATE-TIME:20260413T054000Z UID:indico-contribution-113-1728@events.chpc.ac.za DESCRIPTION:https://events.chpc.ac.za/event/113/contributions/1728/ LOCATION:CSIR ICC ICC-U-Crystal+Garnet - Crystal+Garnet Room URL:https://events.chpc.ac.za/event/113/contributions/1728/ END:VEVENT BEGIN:VEVENT SUMMARY:Idani Mulaudzi DTSTART;VALUE=DATE-TIME:20221202T122000Z DTEND;VALUE=DATE-TIME:20221202T123000Z DTSTAMP;VALUE=DATE-TIME:20260413T054000Z UID:indico-contribution-113-1727@events.chpc.ac.za DESCRIPTION:https://events.chpc.ac.za/event/113/contributions/1727/ LOCATION:CSIR ICC ICC-U-Crystal+Garnet - Crystal+Garnet Room URL:https://events.chpc.ac.za/event/113/contributions/1727/ END:VEVENT BEGIN:VEVENT SUMMARY:Malefu Motuba DTSTART;VALUE=DATE-TIME:20221202T121000Z DTEND;VALUE=DATE-TIME:20221202T122000Z DTSTAMP;VALUE=DATE-TIME:20260413T054000Z UID:indico-contribution-113-1726@events.chpc.ac.za DESCRIPTION:https://events.chpc.ac.za/event/113/contributions/1726/ LOCATION:CSIR ICC ICC-U-Crystal+Garnet - Crystal+Garnet Room URL:https://events.chpc.ac.za/event/113/contributions/1726/ END:VEVENT BEGIN:VEVENT SUMMARY:Daniel Scragg DTSTART;VALUE=DATE-TIME:20221202T120000Z DTEND;VALUE=DATE-TIME:20221202T121000Z DTSTAMP;VALUE=DATE-TIME:20260413T054000Z UID:indico-contribution-113-1725@events.chpc.ac.za DESCRIPTION:https://events.chpc.ac.za/event/113/contributions/1725/ LOCATION:CSIR ICC ICC-U-Crystal+Garnet - Crystal+Garnet Room URL:https://events.chpc.ac.za/event/113/contributions/1725/ END:VEVENT BEGIN:VEVENT SUMMARY:Q&A DTSTART;VALUE=DATE-TIME:20221202T091500Z DTEND;VALUE=DATE-TIME:20221202T092500Z DTSTAMP;VALUE=DATE-TIME:20260413T054000Z UID:indico-contribution-113-1724@events.chpc.ac.za DESCRIPTION:https://events.chpc.ac.za/event/113/contributions/1724/ LOCATION:CSIR ICC ICC-U-Crystal+Garnet - Crystal+Garnet Room URL:https://events.chpc.ac.za/event/113/contributions/1724/ END:VEVENT BEGIN:VEVENT SUMMARY:Q&A DTSTART;VALUE=DATE-TIME:20221202T110000Z DTEND;VALUE=DATE-TIME:20221202T111000Z DTSTAMP;VALUE=DATE-TIME:20260413T054000Z UID:indico-contribution-113-1723@events.chpc.ac.za DESCRIPTION:https://events.chpc.ac.za/event/113/contributions/1723/ LOCATION:CSIR ICC ICC-U-Crystal+Garnet - Crystal+Garnet Room URL:https://events.chpc.ac.za/event/113/contributions/1723/ END:VEVENT BEGIN:VEVENT SUMMARY:Rani Araf DTSTART;VALUE=DATE-TIME:20221202T105000Z DTEND;VALUE=DATE-TIME:20221202T110000Z DTSTAMP;VALUE=DATE-TIME:20260413T054000Z UID:indico-contribution-113-1722@events.chpc.ac.za DESCRIPTION:https://events.chpc.ac.za/event/113/contributions/1722/ LOCATION:CSIR ICC ICC-U-Crystal+Garnet - Crystal+Garnet Room URL:https://events.chpc.ac.za/event/113/contributions/1722/ END:VEVENT BEGIN:VEVENT SUMMARY:Simran Rathilal DTSTART;VALUE=DATE-TIME:20221202T104000Z DTEND;VALUE=DATE-TIME:20221202T105000Z DTSTAMP;VALUE=DATE-TIME:20260413T054000Z UID:indico-contribution-113-1721@events.chpc.ac.za DESCRIPTION:https://events.chpc.ac.za/event/113/contributions/1721/ LOCATION:CSIR ICC ICC-U-Crystal+Garnet - Crystal+Garnet Room URL:https://events.chpc.ac.za/event/113/contributions/1721/ END:VEVENT BEGIN:VEVENT SUMMARY:Oluwasogo Moses Olaifa DTSTART;VALUE=DATE-TIME:20221202T103000Z DTEND;VALUE=DATE-TIME:20221202T104000Z DTSTAMP;VALUE=DATE-TIME:20260413T054000Z UID:indico-contribution-113-1720@events.chpc.ac.za DESCRIPTION:https://events.chpc.ac.za/event/113/contributions/1720/ LOCATION:CSIR ICC ICC-U-Crystal+Garnet - Crystal+Garnet Room URL:https://events.chpc.ac.za/event/113/contributions/1720/ END:VEVENT BEGIN:VEVENT SUMMARY:Khomotso Ngoepe and Tshegofatso Senona DTSTART;VALUE=DATE-TIME:20221202T102000Z DTEND;VALUE=DATE-TIME:20221202T103000Z DTSTAMP;VALUE=DATE-TIME:20260413T054000Z UID:indico-contribution-113-1719@events.chpc.ac.za DESCRIPTION:https://events.chpc.ac.za/event/113/contributions/1719/ LOCATION:CSIR ICC ICC-U-Crystal+Garnet - Crystal+Garnet Room URL:https://events.chpc.ac.za/event/113/contributions/1719/ END:VEVENT BEGIN:VEVENT SUMMARY:Johnny (Jia-Cong) Hou DTSTART;VALUE=DATE-TIME:20221202T100000Z DTEND;VALUE=DATE-TIME:20221202T101000Z DTSTAMP;VALUE=DATE-TIME:20260413T054000Z UID:indico-contribution-113-1718@events.chpc.ac.za DESCRIPTION:https://events.chpc.ac.za/event/113/contributions/1718/ LOCATION:CSIR ICC ICC-U-Crystal+Garnet - Crystal+Garnet Room URL:https://events.chpc.ac.za/event/113/contributions/1718/ END:VEVENT BEGIN:VEVENT SUMMARY:Sisipho Dlakiya (Masters) DTSTART;VALUE=DATE-TIME:20221202T090500Z DTEND;VALUE=DATE-TIME:20221202T091500Z DTSTAMP;VALUE=DATE-TIME:20260413T054000Z UID:indico-contribution-113-1717@events.chpc.ac.za DESCRIPTION:https://events.chpc.ac.za/event/113/contributions/1717/ LOCATION:CSIR ICC ICC-U-Crystal+Garnet - Crystal+Garnet Room URL:https://events.chpc.ac.za/event/113/contributions/1717/ END:VEVENT BEGIN:VEVENT SUMMARY:Vuyani Chipunza (Final Year Engineering) DTSTART;VALUE=DATE-TIME:20221202T085500Z DTEND;VALUE=DATE-TIME:20221202T090500Z DTSTAMP;VALUE=DATE-TIME:20260413T054000Z UID:indico-contribution-113-1716@events.chpc.ac.za DESCRIPTION:https://events.chpc.ac.za/event/113/contributions/1716/ LOCATION:CSIR ICC ICC-U-Crystal+Garnet - Crystal+Garnet Room URL:https://events.chpc.ac.za/event/113/contributions/1716/ END:VEVENT BEGIN:VEVENT SUMMARY:Francois Swanepoel (Honours) DTSTART;VALUE=DATE-TIME:20221202T084500Z DTEND;VALUE=DATE-TIME:20221202T085500Z DTSTAMP;VALUE=DATE-TIME:20260413T054000Z UID:indico-contribution-113-1715@events.chpc.ac.za DESCRIPTION:https://events.chpc.ac.za/event/113/contributions/1715/ LOCATION:CSIR ICC ICC-U-Crystal+Garnet - Crystal+Garnet Room URL:https://events.chpc.ac.za/event/113/contributions/1715/ END:VEVENT BEGIN:VEVENT SUMMARY:James Jena (Postdoc) DTSTART;VALUE=DATE-TIME:20221202T083500Z DTEND;VALUE=DATE-TIME:20221202T084500Z DTSTAMP;VALUE=DATE-TIME:20260413T054000Z UID:indico-contribution-113-1714@events.chpc.ac.za DESCRIPTION:https://events.chpc.ac.za/event/113/contributions/1714/ LOCATION:CSIR ICC ICC-U-Crystal+Garnet - Crystal+Garnet Room URL:https://events.chpc.ac.za/event/113/contributions/1714/ END:VEVENT BEGIN:VEVENT SUMMARY:Tebogo Sebake (PhD) DTSTART;VALUE=DATE-TIME:20221202T082500Z DTEND;VALUE=DATE-TIME:20221202T083500Z DTSTAMP;VALUE=DATE-TIME:20260413T054000Z UID:indico-contribution-113-1713@events.chpc.ac.za DESCRIPTION:https://events.chpc.ac.za/event/113/contributions/1713/ LOCATION:CSIR ICC ICC-U-Crystal+Garnet - Crystal+Garnet Room URL:https://events.chpc.ac.za/event/113/contributions/1713/ END:VEVENT BEGIN:VEVENT SUMMARY:Vela Shumane (Masters) DTSTART;VALUE=DATE-TIME:20221202T081500Z DTEND;VALUE=DATE-TIME:20221202T082500Z DTSTAMP;VALUE=DATE-TIME:20260413T054000Z UID:indico-contribution-113-1712@events.chpc.ac.za DESCRIPTION:https://events.chpc.ac.za/event/113/contributions/1712/ LOCATION:CSIR ICC ICC-U-Crystal+Garnet - Crystal+Garnet Room URL:https://events.chpc.ac.za/event/113/contributions/1712/ END:VEVENT BEGIN:VEVENT SUMMARY:Density functional studies of protonated and alkali metal (Li\, Na and K) incorporated T-doped 2D zeolite model (T= B\, Ga) DTSTART;VALUE=DATE-TIME:20221202T081500Z DTEND;VALUE=DATE-TIME:20221202T083500Z DTSTAMP;VALUE=DATE-TIME:20260413T054000Z UID:indico-contribution-113-1711@events.chpc.ac.za DESCRIPTION:Speakers: Nithaya Chetty (TBC)\nN. Chetty1\,2\, N.F. Andriambe laza1\n1 Department of Physics\, University of Pretoria\, Pretoria 0002\, South Africa\n2Faculty of Science\, University of Witwatersrand\, Johannes burg 2000\, South Africa\n\nDensity functional theory (DFT) method as impl emented in the Quantum Espresso packages was\nused to investigate the effe cts of trivalent atoms such as B and Ga substituting Si atom in a bilayer\ nsilica material. This bilayer system was recently proposed by researchers from Brookhaven lab\n(Boscoboinik et al. [1]) as a suitable candidate for 2D representative of zeolites. The effects of the\ntrivalent atoms on the stability\, structural and electronic properties of the 2D zeolite model were\nexplored. The formation energy analysis revealed that the introducti on of B atom is exothermic\nwhereas that of Ga atom is endothermic. Next\, the introduction of B and Ga were found to affect the\nbond lengths of th e system\, however\, it does not lead to a significant deformation of the structure.\nRegarding the electronic properties\, the Fermi level was shif ted towards the valence band revealing\nthe obtention of p−type material s. The presence of B and Ga atoms in bilayer material results in a\nnet ne gative charge to the framework. In the present study\, proton and alkali m etals were considered\nas charge balance. Their suitable site preference a s well as the best candidate for charge balance\nwere identified. The dens ity of states analysis showed that the presence of cations induces defect\ nstates near the band edges narrowing the band gap. Our results provide de tailed information about\nthe properties of the doped silica bilayer at th e atomic level which is beneficial for its\nnanotechnological applications as well as for its fully validation as 2D model for zeolite.\n[1] Boscobo inik\, J. Anibal\, and Shamil Shaikhutdinov. Catalysis letters 144.12 (201 4): 1987-1995.\n\nhttps://events.chpc.ac.za/event/113/contributions/1711/ LOCATION:CSIR ICC ICC-L-Amethyst - Amethyst Room URL:https://events.chpc.ac.za/event/113/contributions/1711/ END:VEVENT BEGIN:VEVENT SUMMARY:Time to Revisit Erasure Codes in Data-intensive Clusters DTSTART;VALUE=DATE-TIME:20221202T103000Z DTEND;VALUE=DATE-TIME:20221202T110000Z DTSTAMP;VALUE=DATE-TIME:20260413T054000Z UID:indico-contribution-113-1709@events.chpc.ac.za DESCRIPTION:Speakers: Shadi Ibrahim (Inria)\nReplication has been successf ully employed and practiced to ensure high data availability in large-scal e distributed storage systems. However\, with the relentless growth of gen erated and collected data\, replication has become expensive not only in t erms of storage cost but also in terms of network cost and hardware cost. Traditionally\, erasure coding (EC) is employed as a cost-efficient altern ative to replication when high access latency to the data can be tolerated . However\, with the continuous reduction in its CPU overhead\, EC is perf ormed on the critical path of data access. For instance\, EC has been inte grated into the last major release of Hadoop Distributed File System (HDFS ) which is the primary storage backend for data analytic frameworks such a s Hadoop and Spark. This talk explores some of the potential benefits of e rasure coding in data-intensive clusters and discusses aspects that can he lp to realize EC effectively for data-intensive applications.\n\nhttps://e vents.chpc.ac.za/event/113/contributions/1709/ LOCATION:CSIR ICC ICC-G-Emerald - Emerald Auditorium URL:https://events.chpc.ac.za/event/113/contributions/1709/ END:VEVENT BEGIN:VEVENT SUMMARY:The Data Deluge: Overcoming the Barriers to Extreme Scale Science DTSTART;VALUE=DATE-TIME:20221202T100000Z DTEND;VALUE=DATE-TIME:20221202T103000Z DTSTAMP;VALUE=DATE-TIME:20260413T054000Z UID:indico-contribution-113-1708@events.chpc.ac.za DESCRIPTION:Speakers: Scott Klasky (Oak Ridge National Laboratory )\nThe rapid growth in technology is providing unprecedented opportunities for s cientific inquiry. However\, dealing with the data produced has resulted i n a crisis. Computer speeds are increasing much faster than are storage te chnology capacities and I/O rates. This ratio is also getting worse for ex perimental and observational facilities\, where for example\, the Legacy S urvey of Space and Time (LSST) observatory will collect up to 20 TB per ni ght in 2022\, yet the Square Kilometre Array will generate over 2 PB per n ight in 2028. This reality makes it critical for our community to 1) Creat e efficient mechanisms to move and store the data in a Findable\, Addressa ble\, Interoperable\, and Reproducible (FAIR) fashion\; 2) Create efficien t abstractions so that scientists can perform both online and offline anal ysis in an efficient fashion\; 3) Create new reduction algorithms which ca n be trusted by the scientific community\, and which can allow for new way s to not only reduce/compress the data but also to reduce the memory footp rint and the overall time spent in analysis.\n\nTo tackle these goals\, My group had worked closely with many large-scale applications and researche rs to co-design critical software infrastructure for these communities. Th ese research artifacts have been fully integrated into many of the largest simulations and experiments\, and have increased the performance of these codes by over 10X. This impact was recognized with an R&D 100 award in 20 13 and was highlighted in the 2020 US Department of Energy (DOE) Advanced Scientific Computing Research (ASCR) @40 report. In this presentation\, I will discuss the research details on three major contributions I have led: large-scale self-describing parallel I/O (ADIOS)\, in situ/streaming data (SST)\, and data refactoring (MGARD). I will introduce the overall concep ts and present several results from our research\, which has been applied and fully integrated into many of the world’s largest scientific applica tions.\n\nhttps://events.chpc.ac.za/event/113/contributions/1708/ LOCATION:CSIR ICC ICC-G-Emerald - Emerald Auditorium URL:https://events.chpc.ac.za/event/113/contributions/1708/ END:VEVENT BEGIN:VEVENT SUMMARY:Open Source Program Offices in Research Universities DTSTART;VALUE=DATE-TIME:20221202T123000Z DTEND;VALUE=DATE-TIME:20221202T130000Z DTSTAMP;VALUE=DATE-TIME:20260413T054000Z UID:indico-contribution-113-1707@events.chpc.ac.za DESCRIPTION:Speakers: Carlos Maltzahn (UC Santa Cruz)\nOpen source plays a n increasingly important role in society. Almost 90 companies (many of the m Fortune 100) have now dedicated open source program offices (OSPOs) resp onsible for the implementation of the company’s open source strategy. In dustry is placing a high value on organizations who know how to leverage o pen source\, as for example IBM’s acquisition of RedHat for $34 billion indicates. Yet universities are just beginning to work on formalizing thei r relationship to open source communities and are discovering open source as an important alternative to traditional tech transfer. The Alfred P. Sl oan Foundation in their mission to reduce barriers in the research enterpr ise is funding the establishment of OSPOs at six universities\, including Johns Hopkins\, RIT\, UC Santa Cruz\, Vermont\, CMU\, and SLU. The US Nati onal Science Foundation recently created the new Directorate for Technolog y\, Innovation\, and Partnerships (TIP) to accelerate development and depl oyment of new technologies. TIP programs are now funding efforts to create the support infrastructure around open source research products so they c an mature into sustainable open source ecosystems.\n\nIn this talk I will make the case why universities should pay attention to open source and rev iew some of the opportunities created by establishing an OSPO. I will outl ine the main lessons from founding and running the Center for Research in Open Source Software (CROSS) since 2015 and the new programs I am implemen ting as part of the OSPO UC Santa Cruz with funding by the Alfred P. Sloan Foundation and the NSF\, to accelerate reproducible research delivery wit h open source strategies and techniques. As case study I will give an over view of the Skyhook Data Management project that embeds relational data pr ocessing in the Ceph distributed storage system\, with ongoing work to do the same for Argonne National Lab’s Mochi exascale storage services ecos ystem and Sandia National Lab’s FAODEL data exchange libraries.\n\nhttps ://events.chpc.ac.za/event/113/contributions/1707/ LOCATION:CSIR ICC ICC-G-Emerald - Emerald Auditorium URL:https://events.chpc.ac.za/event/113/contributions/1707/ END:VEVENT BEGIN:VEVENT SUMMARY:The role of storage target allocation in applications’ I/O perfo rmance with BeeGFS - a medium-sized cluster experience DTSTART;VALUE=DATE-TIME:20221202T120000Z DTEND;VALUE=DATE-TIME:20221202T123000Z DTSTAMP;VALUE=DATE-TIME:20260413T054000Z UID:indico-contribution-113-1689@events.chpc.ac.za DESCRIPTION:Speakers: Francieli Boito (University of Bordeaux\, Inria)\, L uan Teylo (Inria)\nParallel file systems are at the core of HPC I/O infras tructures. Those systems minimize the I/O time of applications by separati ng files into fixed-size chunks and distributing them across multiple stor age targets. Therefore\, the I/O performance experienced with a PFS is dir ectly linked to the capacity to retrieve these chunks in parallel. In this work\, we conduct an in-depth evaluation of the impact of the stripe coun t (the number of targets used for striping) on the write performance of Be eGFS\, one of the most popular parallel file systems today. We consider di fferent network configurations and show the fundamental role played by thi s parameter\, in addition to the number of compute nodes\, processes and s torage targets. \nThrough a rigorous experimental evaluation\, we directly contradict conclusions from related work. Notably\, we show that sharing I/O targets does not lead to performance degradation and that applications should use as many storage targets as possible. Our recommendations have the potential to significantly improve the overall write performance of Be eGFS deployments and also provide valuable information for future work on storage target allocation and stripe count tuning.\n\nhttps://events.chpc. ac.za/event/113/contributions/1689/ LOCATION:CSIR ICC ICC-G-Emerald - Emerald Auditorium URL:https://events.chpc.ac.za/event/113/contributions/1689/ END:VEVENT BEGIN:VEVENT SUMMARY:Information Custodians or Detectives? The Future Role of Libraries in an Age Dominated by Automation and Artificial Intelligence-based Resea rch DTSTART;VALUE=DATE-TIME:20221201T122500Z DTEND;VALUE=DATE-TIME:20221201T124500Z DTSTAMP;VALUE=DATE-TIME:20260413T054000Z UID:indico-contribution-113-1706@events.chpc.ac.za DESCRIPTION:Speakers: Isak van der Walt (University of Pretoria)\nWith the affordances and advancement of Artificial Intelligence-based systems and machines\, the application and relevance to multiple fields and disciplin es have been ever-increasing. The application of Artificial Intelligence ( AI) in multiple sectors\, if not every sector\, is indicative of its broa d spectrum of uses. In very broad terms\, AI is “intelligence” displa yed by machines that mimic the natural cognitive skills of humans. A moder n-day definition relates not to the confines of AI’s ability to articula te\, but rather to rationality and the ability to act rationally. \nAI is a wide field of research that consists of multiple sub-domains\, each wit h its applications and use. In general\, the use of AI-based systems and m achines aims to enhance\, augment\, and automate tasks that require human- like reasoning\, problem-solving\, and perception-based skills. Ultimately \, as with human-based work\, the end goal is to take a set of tasks and i nstructions that need to be articulated to reach a specific goal.\n\nThere is a problem\n\nAI uses cases for the advancement and betterment of socie ty which are only a Google search away\, and there are exemplary examples of its application that have aided organisations\, companies\, communities \, and countries. However\, AI does not come without its own set of challe nges\, including risks from individuals acting in bad faith\, the weaponis ation of AI\, biased data\, job loss\, and existential issues. The applica tion thereof is mostly dictated and developed by the ability and capacity of an individual/organisation’s creativity\, potentially bringing about incorrect or harmful outcomes (sometimes with intent).\nIt is closer to ho me than we think\n\nUnfortunately\, AI's harmful use and application with in the academic environment have become an increasing phenomenon. As much as AI is being used to find innovative solutions to research questions\, s o much so it is being used to circumvent detection efforts or for the f alsification of research data. Historically the use of AI-based systems an d tools was confined to specific disciplines and labs. However\, today the se systems are readily available and need little to no skill in obtaining their benefit. Online tutorials and ready-made tools are freely available to showcase and use. There are multiple reasons why researchers would fals ify research (e.g.\, career and funding pressures\, institutional oversigh t\, inadequate training\, etc.) which ultimately relates to questionable integrity practices. Many of these methods and subversion efforts are ext remely hard to detect and interrogate as the systems and tools are ever-e volving\, and current detection efforts age within a very short time fram e.\n\nIt is not all bad news\n\nThe use of AI in research has many benefit s and the use thereof should not be discouraged. It is when an individual or group of researchers purposely fail to acknowledge the use thereof and where the intent of the researcher(s) is to avoid detection of generated d ata/processes which should concern us. The following can serve as guiding questions/notes when using AI as part of your research process:\n • H ave I ensured that the data is generated ethically?\n • Can I ensure that the data has all forms of bias removed?\n • Will the generated d ata harm or affect a specific group of individuals?\n • State the use and purpose of AI methods and tools as part of the research process when writing a research proposal\, collecting data\, and writing up research fi ndings\n • Question the collection methods/algorithms used when using open datasets\n\nThe key to it all\n\n“Removing improper incentives\, t raining researchers\, and imposing better governance is vital to reducing research misconduct. Awareness of the possibility of misconduct and formal ised procedures that scrutinize study trustworthiness is important during peer review and in systematic reviews.” - Li\, W.\, Gurrin\, L. C. and M ol\, B. W. (2022) “Violation of Research Integrity Principles Occurs Mor e Often Than We Think\,” Reproductive biomedicine online\, 44(2)\, pp. 207–209. Click here to read it.\n\nThe above statement is the most effe ctive form of combating and preventing the falsification of research data in general\, and with the use of AI. The efforts are also not an individua l's responsibility\, but that of a whole organisation that strives to ensu re sound and ethical research practices.\n\nThis presentation will provide an overview of the current trends\, preventative measure\, and training i nvolved to counter the use of AI for the purposes of faking research data\ n\nhttps://events.chpc.ac.za/event/113/contributions/1706/ LOCATION:CSIR ICC ICC-U-Crystal+Garnet - Crystal+Garnet Room URL:https://events.chpc.ac.za/event/113/contributions/1706/ END:VEVENT BEGIN:VEVENT SUMMARY:SAEON’s Research Data Infrastructures DTSTART;VALUE=DATE-TIME:20221201T114500Z DTEND;VALUE=DATE-TIME:20221201T120500Z DTSTAMP;VALUE=DATE-TIME:20260413T054000Z UID:indico-contribution-113-1703@events.chpc.ac.za DESCRIPTION:Speakers: Mary-Jane Bopape (South African Environmental Observ ation Network (SAEON))\nThe Intergovernmental Panel on Climate Change (IPC C) Assessment Report six (AR6) shows that much of the globe will experienc e water and food insecurity\, wellness challenges\, and damage to infrastr ucture due to climate change. There is therefore a need for long term obse rvation networks that that can provide clear information on the scale of t he problem. Africa and the Southern hemisphere\, however\, have a sparse e nvironmental observation network\, which has a detrimental effect on the u nderstanding of earth system process and on numerical modelling in general . The South African Environmental Observation Network (SAEON)’s vision is to provide world class environmental research platforms for a sustainab le society. The presentation will provide information on SAEON’s earth s ystem observation network and research platforms\, data policy and accessi bility of the platforms from the seven nodes across South Africa. SAEON ho sts three projects of the South African Research Infrastructure Roadmap (S ARIR) namely 1) the Expanded Freshwater and Terrestrial Environmental Obse rvation Network (EFTEON)\, 2) the Shallow Marine and Coastal Research Infr astructure (SMCRI) and the South African Polar Research Infrastructure (SA PRI). These observation networks are going to be used increasingly in nume rical modelling studies\, to inform model development\, data assimilation and verification. Close collaboration between observation and modelling sc ientists will result in better understanding of earth system processes\, s kilful models\, increased local model development capacity and the improve ment of multi-hazard early warning systems.\n\nhttps://events.chpc.ac.za/e vent/113/contributions/1703/ LOCATION:CSIR ICC ICC-U-Crystal+Garnet - Crystal+Garnet Room URL:https://events.chpc.ac.za/event/113/contributions/1703/ END:VEVENT BEGIN:VEVENT SUMMARY:Addressing privacy issues in data sharing. DTSTART;VALUE=DATE-TIME:20221201T094500Z DTEND;VALUE=DATE-TIME:20221201T100500Z DTSTAMP;VALUE=DATE-TIME:20260413T054000Z UID:indico-contribution-113-1702@events.chpc.ac.za DESCRIPTION:Speakers: More Chinakidzwa (Higher Colleges of Technology)\nTh e convergence among researchers on the value of data sharing continues to grow yet little data sharing occurs. Several studies exist to understand m otivations\, perceptions\, practices and barriers to research data sharing with seemingly similar findings. One of the key barriers to data sharing is privacy concerns. Not all data can be made publicly accessible. Researc h data should be made ‘as open as possible\, as closed as necessary’. In some instances\, data commercial concerns continue to grow especially f rom industry funded research. Some researchers still perceive data as priv ate thus should be closely kept. Concurrently\, some researchers lack know ledge and skills to develop data management plans that contribute to their data sharing desires. As a result\, data sharing clauses\, processing pro cedures and privacy statements are missing in informed consent statements. This not only suffocates data sharing efforts but raises potential legal challenges. Though in some disciplines such as biomedicine\, data sharing has become a standard research practice\, data sharing is not yet common i n some communities such as humanities. This paper is based on a narrative literature review of university data management policies\, guidelines and publications. The review focused on privacy\, confidentiality and securit y concerns in research data sharing. To address privacy concerns in data s haring\, the paper suggests a combination of 1) data management plans (DMP ) 2) obtaining informed consent 3) anonymization and 4) data access contro ls. Data sharing begins with a sound DMP. A DMP gives the researcher an o pportunity to ‘walk through’ the research before it begins. The resear cher defines required privacy\, security\, and sharing beforehand\, theref ore contributes to data sharing planning. Further\, researchers can attai n ethical and legal data sharing by obtaining consent\, anonymizing data a nd providing clarity to data copyrights and access controls. The paper con tributes to knowledge on data sharing by providing practical suggestions a nd tips to handling privacy concerns in data sharing. The paper highlights essential requirements that researchers must satisfy to ethically and leg ally share research data. However\, a focus on personal data in a general context is the paper’s major limitation. Future research must focus on a specific discipline because data sharing concerns are contextual. \n\nKey words: data sharing\, privacy\, informed consent\, data management plan\, data access.\n\nhttps://events.chpc.ac.za/event/113/contributions/1702/ LOCATION:CSIR ICC ICC-U-Crystal+Garnet - Crystal+Garnet Room URL:https://events.chpc.ac.za/event/113/contributions/1702/ END:VEVENT BEGIN:VEVENT SUMMARY:Q&A DTSTART;VALUE=DATE-TIME:20221201T091500Z DTEND;VALUE=DATE-TIME:20221201T092500Z DTSTAMP;VALUE=DATE-TIME:20260413T054000Z UID:indico-contribution-113-1701@events.chpc.ac.za DESCRIPTION:Question period occurs after presentations.\n\nhttps://events. chpc.ac.za/event/113/contributions/1701/ LOCATION:CSIR ICC ICC-U-Crystal+Garnet - Crystal+Garnet Room URL:https://events.chpc.ac.za/event/113/contributions/1701/ END:VEVENT BEGIN:VEVENT SUMMARY:MQFIP: Towards a Digital Forensic Investigation Process of a Compr omised MySQL Database DTSTART;VALUE=DATE-TIME:20221201T085500Z DTEND;VALUE=DATE-TIME:20221201T091500Z DTSTAMP;VALUE=DATE-TIME:20260413T054000Z UID:indico-contribution-113-1700@events.chpc.ac.za DESCRIPTION:Speakers: Taurai Hungwe (Sefako Makgatho Health Sciences Unive rsity)\nDatabase forensics\, is a branch of digital forensic science that allows forensic examination of databases to be conducted by following norm al digital investigation\, processes. Regardless\, while conducting invest igation processes on databases\, the aim is always directed towards the ex traction of Potential Digital Evidence (PDE) in a forensically sound manne r. More often than not\, forensic investigations on databases targets data in a database\, the metadata and this data may at different instances con tain important facts that can be used to prove or disprove facts in a cour t of law during criminal or civil proceedings. Normally\, the metadata for ensically presents a technique that determines how the digital data that i s extracted from the databases can be interpreted. The main problem that i s being addressed in this paper is how a digital forensic investigation pr ocess can be applied to a compromised MySQL database. The research has ach ieved this by simulating attack scenarios\, reconstructing MySQL database and conducting MySQL Forensic Investigation Process (MqFIP) and the findin gs have been extrapolated well.\n\n**Key words:** Database forensics\, Dat abase management system\, Forensic configuration\, Database\, MySQL\, MySQ L forensic investigation process\n\nhttps://events.chpc.ac.za/event/113/co ntributions/1700/ LOCATION:CSIR ICC ICC-U-Crystal+Garnet - Crystal+Garnet Room URL:https://events.chpc.ac.za/event/113/contributions/1700/ END:VEVENT BEGIN:VEVENT SUMMARY:A Data-Driven Prototype for Animal Grading Systems DTSTART;VALUE=DATE-TIME:20221201T083500Z DTEND;VALUE=DATE-TIME:20221201T085500Z DTSTAMP;VALUE=DATE-TIME:20260413T054000Z UID:indico-contribution-113-1699@events.chpc.ac.za DESCRIPTION:Speakers: Kassim Mwitondi (Sheffield Hallam University)\nThe n on–orthogonality of the United Nation’s Sustainable Development Goals (SDG)\, their spatio–temporal variations and complex interactions entail concerted interdisciplinary efforts to identify and address triggers of t heir indicators. As the SDG span across the entire spectrum of human exist ence\, they are naturally associated with data deluge–hence the likeliho od of operating around unseen\, ignored or difficult knowledge gaps is hig h. For example\, the complex interactions of the SDG imply that part of th e solution to poverty (SDG #1)\, say\, may rely on the health and wellness of the population (SDG #3)\, its level of education and innovation (SDGs #4 and #9)\, societal equality schemes in place (SDG #10) and other subtle factors within the SDG domain set. In many developing countries\, shortag e of resources in the veterinary–extension network leads to poor farmer outcomes in terms of animal health and productivity. The animal products v alue-chains tend to be fragmented and disconnected\, leading to a number o f steps to market and poor prices for farmers. Overall investment in anima l farming that could lead to innovation and increased productivity is larg ely inhibited by the lack of reliable market and logistical information sh aring infrastructure. We propose a prototype for extracting potentially va luable data for assessing the value\, health and general condition of anim als. The prototype is powered by onsite generated and remotely modelled st ructured and unstructured data using adaptive machine learning techniques –a hybrid of statistical pattern recognition methods and image analysis. Structured data is generated by a scale–invariant slider\, repeatedly a pplied to animal images of interest\, hence providing triangulating data f or the images\, which are camera–captured from specific distances and an gles.\nThe novelty of the approach derives from the foregoing data generat ion mechanics and its adaptation of existing technologies in large scale a nimal farming to provide scalable solutions to small and medium scale anim al farming practices. We discuss how its application can enhance productiv ity among small–scale animal farmers by empowering them to make more eff ective decisions and benefit from reduced risk and enhanced profitability. We show how pre–market estimation of animal weights and their potential market value\, directly or indirectly\, aligns with the SDG agenda. Final ly\, we demonstrate potential extensions into video monitoring and classif ication of animals.\n\n**Key Words:** Animal Grading System\, Association Rules\, Big Data\, Body Condition Score\, Convolutional Neural Networks\, Data Science\, Data Visualisation\, Interdisciplinarity\, Predictive Model ling\, Sustainable Development Goals\n\nhttps://events.chpc.ac.za/event/11 3/contributions/1699/ LOCATION:CSIR ICC ICC-U-Crystal+Garnet - Crystal+Garnet Room URL:https://events.chpc.ac.za/event/113/contributions/1699/ END:VEVENT BEGIN:VEVENT SUMMARY:African Open Science Platform - Towards a continental Open Science Vision DTSTART;VALUE=DATE-TIME:20221201T081500Z DTEND;VALUE=DATE-TIME:20221201T083500Z DTSTAMP;VALUE=DATE-TIME:20260413T054000Z UID:indico-contribution-113-1698@events.chpc.ac.za DESCRIPTION:Speakers: Tshiamo Motshegwa (University Of Botswana)\nGlobally there is movement in the trajectory of developing a Global Open Science C loud (GOSC) aimed at supporting research collaborations across continents to assist in addressing global science challenges - for example UN Sustain able Development Goals (SDGs)\, climate change\, infectious diseases\, and coordination of global disaster risk reduction. \nContinents\, regions\, and countries are also actively developing Open Science platforms and inv esting in underlying cyberinfrastructures to advance their Research Scienc e Technology and Innovation (RSTI) ecosystems\, enhance collaboration and increase their competitiveness and critically\, use RSTI as a driver for n ational and continental priorities.\nTo this end\, a discussion of the Afr ican Open Science Platform (AOSP) and progress in its development is given in this talk. AOSP aims to position African scientists at the cutting edg e of data intensive science by stimulating interactivity and creating oppo rtunity through the development of efficiencies of scale\, building critic al mass through shared capacities\, amplifying impact through a commonalit y of purpose and voice\, and to engage in Global Commons to address contin ental and global challenges through joint action\nAOSP pilot study conduct ed an audit and provided frameworks to guide countries in the development of requisite policies\, infrastructure\, incentives\, and human capital to facilitate leveraging of open science and open data amidst the digital re volution – with all the challenges and opportunities presented.\nFurther more\, African regional blocks also have initiatives aligned with AOSP - f or example\, the Southern African Development Community Cyberinfrastructur e Framework – (SADC CI) has been approved by Governments. It is currentl y supporting some regional projects and was consulted in the AOSP pilot pr oject. The SADC CI facilitates a regional collaborative ecosystem for res earch\, innovation\, and teaching by creating a shared commons for data\, computational platforms\, and human capital development over a fabric of h igh-speed connectivity afforded by National Education and Research network s (NRENs)\n\nAOSP provides avenues and a trajectory towards developing a P an African cyberinfrastructure to support advancement of the continent's s cience enterprise through open science and open data. Furthermore\, such c yberinfrastructure will promote collaboration and support addressing highe r-level African priority areas and challenges through leveraging the mediu m of research\, science\, technology and innovation\, and thereby contribu te to African advancement and integration to help deliver on the African v ision - Agenda 2063 - The Africa We Want\n\nKeywords: Cyberinfrastructure \, Open Science\, Open Science Platforms\, RSTI Policy and Ecosystems\n\nh ttps://events.chpc.ac.za/event/113/contributions/1698/ LOCATION:CSIR ICC ICC-U-Crystal+Garnet - Crystal+Garnet Room URL:https://events.chpc.ac.za/event/113/contributions/1698/ END:VEVENT BEGIN:VEVENT SUMMARY:Q&A DTSTART;VALUE=DATE-TIME:20221202T091500Z DTEND;VALUE=DATE-TIME:20221202T093000Z DTSTAMP;VALUE=DATE-TIME:20260413T054000Z UID:indico-contribution-113-1697@events.chpc.ac.za DESCRIPTION:Questions after talks.\n\nhttps://events.chpc.ac.za/event/113/ contributions/1697/ LOCATION:CSIR ICC ICC-L-Amethyst - Amethyst Room URL:https://events.chpc.ac.za/event/113/contributions/1697/ END:VEVENT BEGIN:VEVENT SUMMARY:KEYNOTE: Maximize Possibilities for HPC and AI DTSTART;VALUE=DATE-TIME:20221130T070500Z DTEND;VALUE=DATE-TIME:20221130T080000Z DTSTAMP;VALUE=DATE-TIME:20260413T054000Z UID:indico-contribution-113-1672@events.chpc.ac.za DESCRIPTION:Speakers: Jean-Laurent Philippe (Intel)\nHPC\, AI\, and Analyt ics users ask more of their HPC-AI systems than ever before. High Performa nce Computing is the foundation of research and discovery. Artificial Inte lligence is adding to it. Intel’s deep investments in developer ecosyste ms\, tools\, technology and open platforms are clearing the path forward t o scale artificial intelligence and high performance computing everywhere. Intel has made HPC and AI more accessible and scalable for developers thr ough the OneAPI development environment\, and through extensive optimizati ons of popular libraries and frameworks on Intel® Xeon® Scalable process ors. Let’s look at Intel HPC-AI strategy and new innovations including t he latest Intel® Xeon® Scalable processors\, the latest data center GPUs and powerful software tools. Together\, let's maximize the possibilities for the users in HPC-AI.\n\nhttps://events.chpc.ac.za/event/113/contributi ons/1672/ LOCATION:CSIR ICC ICC-G-DIAMOND - Diamond Auditorium URL:https://events.chpc.ac.za/event/113/contributions/1672/ END:VEVENT BEGIN:VEVENT SUMMARY:The Path To Zero Emissions Computing DTSTART;VALUE=DATE-TIME:20221201T100500Z DTEND;VALUE=DATE-TIME:20221201T102500Z DTSTAMP;VALUE=DATE-TIME:20260413T054000Z UID:indico-contribution-113-1688@events.chpc.ac.za DESCRIPTION:Speakers: Rick Koopman (Lenovo)\nRick Koopman\, Tech Lead and Director for Lenovo’s High-Performance Computing and Artificial Intellig ence business segment for Emerging Markets in EMEA is going to talk about the challenges we will run into the coming period adopting new technologi es while walking the path towards Zero Emissions Computing.\n\nLenovo is a n established leader in HPC\, with ~180 of the world’s top 500 supercomp uters. We’re also a leader in energy efficient HPC\, with Neptune liqui d cooling technologies powering research centers on five of seven continen ts. \nThis is why we say that from genomics to weather\, seismic to space\ , Lenovo is helping solve humanity’s greatest challenges. And there is no greater challenge to humanity than the climate crisis.\n\nI’m here to day to talk to you about a topic you’ll be hearing a lot about in the ye ars to come: Sustainable computing. Sustainable is an approach to computi ng that seeks to reduce or eliminate the carbon footprint of the data cent er gear\, from shipment to operation\, to disposal.\n\nhttps://events.chpc .ac.za/event/113/contributions/1688/ LOCATION:CSIR ICC ICC-G-Emerald - Emerald Auditorium URL:https://events.chpc.ac.za/event/113/contributions/1688/ END:VEVENT BEGIN:VEVENT SUMMARY:Intel in HPC DTSTART;VALUE=DATE-TIME:20221201T081500Z DTEND;VALUE=DATE-TIME:20221201T084500Z DTSTAMP;VALUE=DATE-TIME:20260413T054000Z UID:indico-contribution-113-1670@events.chpc.ac.za DESCRIPTION:Speakers: Ahmed Aljeshi (Intel Corporation)\nThis session will cover the latest Intel Hardware (Xeon and GPU) in more technical details related to HPC use cases. It will help the audience to understand what pr oducts are coming shortly and what are the capabilities of those products. \n\nhttps://events.chpc.ac.za/event/113/contributions/1670/ LOCATION:CSIR ICC ICC-G-Emerald - Emerald Auditorium URL:https://events.chpc.ac.za/event/113/contributions/1670/ END:VEVENT BEGIN:VEVENT SUMMARY:HPC Visualisation Birds-of-a-Feather (BoF) DTSTART;VALUE=DATE-TIME:20221202T081500Z DTEND;VALUE=DATE-TIME:20221202T093000Z DTSTAMP;VALUE=DATE-TIME:20260413T054000Z UID:indico-contribution-113-1692@events.chpc.ac.za DESCRIPTION:Speakers: Samuel Mabakane (CENTRE FOR HIGH PERFORMANCE COMPUTI NG)\nProposed design of the visualisation system for CHPC\n\nVisualisation systems are used to analyse scientific data in various disciplines such a s material science\, computational physics\, chemistry and climatology. Th e Centre for High Performance Computing (CHPC) users visualise their scien tific data utilising their own laptops and desktops\, of which\, these com puters sometimes do not have adequate computational resources such as proc essor\, memory\, graphics processing unit (GPU) and large screen to effect ively display data generated by parallel programs. Users completed the sur vey about the proposal to setup a new visualisation system at CHPC and the results of these questionnaires will be discussed accordingly. To this en d\, we propose an in situ visualisation system\, which can be used to visu alise data in real-time or after it is being produced by the simulation ex ecuted on the High Performance Computing system.\n\nhttps://events.chpc.ac .za/event/113/contributions/1692/ LOCATION:CSIR ICC ICC-G-Emerald - Emerald Auditorium URL:https://events.chpc.ac.za/event/113/contributions/1692/ END:VEVENT BEGIN:VEVENT SUMMARY:Understanding the catalytic activity of molybdenum carbide surface s: what we can learn from surface-mobility of reaction intermediates DTSTART;VALUE=DATE-TIME:20221202T123000Z DTEND;VALUE=DATE-TIME:20221202T130000Z DTSTAMP;VALUE=DATE-TIME:20260413T054000Z UID:indico-contribution-113-1679@events.chpc.ac.za DESCRIPTION:Speakers: Thobani Gambu (University of Cape Town)\n**Abstract* *\n\nTransition metal carbides (TMCs) are recognised as the cheap alternat ive to the rare-expensive noble metals such as platinum\, palladium\, and Ruthenium [1]. This is obvious from similar electronic properties these ma terials share with noble metals. As a result\, there has been great intere st in the application TMCs in catalysis\, in particular molybdenum carbide s as catalysts and catalyst support materials. Many studies show molybdenu m carbides as highly active carbon dioxide activation\, dehydrogenation\, and water gas shift (WGS) catalysts (and supports) [1-3].\n\nIn recent wor ks of Ma and co-authors\, α-MoC supported Pt and Au clusters showed extra ordinary activities towards hydrogen production via the WGS reaction at am bient temperatures [2\,3]. However\, with limited surface coverage of α-M oC surfaces with Pt/Au\, the observed activity quickly diminishes. Experim ental work suggests that this deactivation (rapid decrease in activity) is associated with partial surface oxidation – occurring due to stable and immobile hydroxyl intermediates. Limited density functional theory (DFT) calculations are performed to understand the activity of these systems. Ho wever\, the mobility of various reaction intermediates on these surfaces r emains relatively unexplored. Furthermore\, the assumed surface is based o n experimental observation – this however does not exclude the presence of other surfaces. We have used the CHPC (CPU nodes) resources to explore the mobility and reactivity of various reaction intermediates on α-MoC(11 1) surface. Additional data over the more stable α-MoC(100) has also been generated. To our surprise\, over the observed surface all reaction inter mediates are extremely mobile while over the α-MoC(100) surface the conve rse is true. In this talk we will discuss these findings and their implica tion on catalyst design where α-MoC is considered as either an active pha se or catalyst support.\n\n**References**\n\n 1. Deng\, Y.\, *et al.* (201 9). Molybdenum Carbide: Controlling the Geometric and Electronic Structure of Noble Metals for the Activation of O-H and C-H Bonds. Acc Chem Res 52( 12): 3372-3383.\n\n 2. Zhang\, X.\, *et al.* (2021). A stable low-temperat ure H2-production catalyst by crowding Pt on alpha-MoC. Nature 589(7842): 396-401.\n\n 3. Yao\, S. *et al.* (2017). Atomic-layered Au clusters on a- MoC as catalysts for the low-temperature water-gas shift reaction. Science 357(6349): 389-393\n\nhttps://events.chpc.ac.za/event/113/contributions/1 679/ LOCATION:CSIR ICC ICC-L-Amethyst - Amethyst Room URL:https://events.chpc.ac.za/event/113/contributions/1679/ END:VEVENT BEGIN:VEVENT SUMMARY:Investigating chaos through computing: Condensates\, plasma\, astr onomy\, biology and beyond DTSTART;VALUE=DATE-TIME:20221202T120000Z DTEND;VALUE=DATE-TIME:20221202T123000Z DTSTAMP;VALUE=DATE-TIME:20260413T054000Z UID:indico-contribution-113-1694@events.chpc.ac.za DESCRIPTION:Speakers: Malcolm Hillebrand (Nonlinear Dynamics and Chaos Gro up\, Department of Mathematics and Applied Mathematics\, University of Cap e Town)\nOur research combines theoretical aspects of mathematics and phys ics with large-scale numerical investigations to understand characteristic s of diverse multidimensional chaotic systems. By computing physical quant ities as well as dynamical indicators\, such as Lyapunov exponents\, moder n theoretical and numerical techniques and powerful computation resources enable us to quantify chaos and its importance in complex models with hard -to-predict behaviour. This includes investigations into the spreading of waves in 1D and 2D lattices describing solid-state materials and studying the role of chaos in wave propagation. Chaotic wave spreading is also rele vant in granular chains\, soft architected structures\, and tight-binding models where optimised parallel computations enable novel findings. Apart from lattices\, another aspect which attracted the attention of our group is the chaotic dynamics of charged particles in complex magnetic fields\, which are central to the control of plasma in experiments. We also apply v arious numerical techniques to models from biology and chemistry\, particu larly related to the behaviour DNA and graphene\, where we are able to pro be physical and dynamical properties of these materials\, as well as syste ms describing the motion of stars in galactic potentials. Furthermore\, we develop and test efficient task-specific numerical techniques\, while com putationally we make use of OpenMP\, CUDA\, and effective task-splitting t o use GNU Parallel and pbsdsh.\n\nhttps://events.chpc.ac.za/event/113/cont ributions/1694/ LOCATION:CSIR ICC ICC-L-Amethyst - Amethyst Room URL:https://events.chpc.ac.za/event/113/contributions/1694/ END:VEVENT BEGIN:VEVENT SUMMARY:Application of computational genomics in poultry and ruminant heal th improvement DTSTART;VALUE=DATE-TIME:20221202T100000Z DTEND;VALUE=DATE-TIME:20221202T103000Z DTSTAMP;VALUE=DATE-TIME:20260413T054000Z UID:indico-contribution-113-1624@events.chpc.ac.za DESCRIPTION:Speakers: Matthew A. Adeleke (University of KwaZulu-Natal)\nOu r research team focuses primarily on improving animal health through the c ombination of experimental and computational genomics. These include the e xperimental characterization of genes and antigens from field samples for pathogen detection\, immunoinformatics analysis of antigens from proteomes \, and genomes of coccidian parasites available in public databases for va ccine development. The second focus of our research group is to understand and manipulate the rumen microbiome with probiotics using metagenomics wi th the intent of addressing antimicrobial resistance emanating from animal production. Our research group heavily depends on the Centre for High Per formance Computing facilities\, especially for the analysis of huge datase ts we often work with in order to answer important biological questions re levant to our focus areas. Findings from our research have applications in the control and development of molecular diagnostic tools for coccidian p arasites in animals. In addition\, our results on metagenomics showed lowe red rumen pathogenic bacterial population following manipulation with prob iotics.\n\nhttps://events.chpc.ac.za/event/113/contributions/1624/ LOCATION:CSIR ICC ICC-L-Amethyst - Amethyst Room URL:https://events.chpc.ac.za/event/113/contributions/1624/ END:VEVENT BEGIN:VEVENT SUMMARY:Using AI to perceive humans DTSTART;VALUE=DATE-TIME:20221201T134500Z DTEND;VALUE=DATE-TIME:20221201T141500Z DTSTAMP;VALUE=DATE-TIME:20260413T054000Z UID:indico-contribution-113-1628@events.chpc.ac.za DESCRIPTION:Speakers: Dustin van der Haar (University of Johanensburg)\nHu mans intuitively perceive other human beings' structural and behavioural a ttributes\, and the ability to allow a machine to do the same thing has be en age-old pursuit. Recent advances in deep learning\, specifically in pos e estimation\, tracking and action analysis\, have unlocked the ability to encapsulate users and their behaviour in a scene. This talk focuses on h ow deep learning methods can solve problems experienced in security\, medi cine and sports\, along with the current wins and challenges many implemen ters face when bringing AI into our daily lives.\n\nhttps://events.chpc.ac .za/event/113/contributions/1628/ LOCATION:CSIR ICC ICC-L-Amethyst - Amethyst Room URL:https://events.chpc.ac.za/event/113/contributions/1628/ END:VEVENT BEGIN:VEVENT SUMMARY:Computational Modelling using high performance computing for mater ials prediction and design DTSTART;VALUE=DATE-TIME:20221201T121500Z DTEND;VALUE=DATE-TIME:20221201T124500Z DTSTAMP;VALUE=DATE-TIME:20260413T054000Z UID:indico-contribution-113-1675@events.chpc.ac.za DESCRIPTION:Speakers: Kingsley Obodo (University of South Africa)\nThe bro ad overarching aim is to discover novel materials suitable for high-capaci ty energy conversion using density functional theory (DFT) calculations an d computational screening techniques. In this presentation\, the applicati on of high-performance computing facility on different materials related p roject is discussed as well as how this has enabled materials design and p rediction. Various projects engaged in using the high-performance facility as provided by the centre for high performance computing in South Africa (CHPC) will be discussed. Firstly\, 2D materials and heterostructures as p ossible photocatalytic materials as well as photovoltaic materials is disc ussed. We found that certain materials resulted in improved photocatalytic and photovoltaic properties. The reduction of platinum group metal toward s the catalytic dehydrogenation of liquid organic hydrogen carriers (LOHC) is important. Pt based Sn/Co alloys were explored and found to have bette r dehydrogenation catalytic properties compared with pristine Pt metals re sulting in cost reduction attributed with reduced Pt loading. The evaluati on of doped IrO2 for OER showed that improved catalytic properties can be obtained.\n\nhttps://events.chpc.ac.za/event/113/contributions/1675/ LOCATION:CSIR ICC ICC-L-Amethyst - Amethyst Room URL:https://events.chpc.ac.za/event/113/contributions/1675/ END:VEVENT BEGIN:VEVENT SUMMARY:Evaluating the mycobacterial proteostasis system as a drug target in tuberculosis DTSTART;VALUE=DATE-TIME:20221201T114500Z DTEND;VALUE=DATE-TIME:20221201T121500Z DTSTAMP;VALUE=DATE-TIME:20260413T054000Z UID:indico-contribution-113-1649@events.chpc.ac.za DESCRIPTION:Speakers: Adrienne Edkins (Rhodes University)\nTuberculosis (T B) is a chronic lung disease caused by infection with Mycobacterium tuberc ulosis (Mtb). TB is the leading global cause of infectious disease-related deaths and disproportionately affects populations in the Global South. Wh ile TB can be treated with combination antibiotic therapy\, there remain s ubstantial therapeutic challenges. The extended duration of treatment for TB results in compliance issues which has led to the development of drug r esistance. Therefore\, new strategies to shorten treatment duration and co mbat resistance are required. Drug resistance is driven by mutations in sp ecific Mtb proteins targeted by antibiotics. Therefore\, one strategy to c ircumvent resistance is to inhibit the bacterial proteostasis system\, as mutated protein variants may be less stable than the wild type variants. I n the context of rifampicin resistance\, we studied the effect of drug-res istance mutations in the target protein RpoB. We show that RpoB is a clien t protein of the major Hsp70 proteostasis complex in Mtb and that Hsp70 ca n protect RpoB from stress inactivation. Molecular dynamics simulations us ing GROMACS suggested that drug-induced mutations alter the stability of t he RpoB protein. Specifically\, RpoB drug resistant mutations D435V\, D435 V-H445Y\, D435V-H445Y-S450L\, H445Y\, and G442A-S450L led to reduced prote in stability\, while S450L led to a more stable RpoB phenotype. The in sil ico predictions were compared to in vitro biochemical assays in which the thermal stability and Hsp70 interaction were compared. Taken together\, ou r data suggest that RpoB drug-induced mutations alter protein stability an d Hsp70 interaction\, and may predict the reliance of these proteins on th e Mtb Hsp70 proteostasis system. Consequently\, inhibition of Hsp70 is bei ng evaluated as a strategy to sensitise bacteria to rifampicin.\n\nhttps:/ /events.chpc.ac.za/event/113/contributions/1649/ LOCATION:CSIR ICC ICC-L-Amethyst - Amethyst Room URL:https://events.chpc.ac.za/event/113/contributions/1649/ END:VEVENT BEGIN:VEVENT SUMMARY:Women in HPC Birds-of-a-Feather (BoF) DTSTART;VALUE=DATE-TIME:20221201T094500Z DTEND;VALUE=DATE-TIME:20221201T104500Z DTSTAMP;VALUE=DATE-TIME:20260413T054000Z UID:indico-contribution-113-1691@events.chpc.ac.za DESCRIPTION:Speakers: Khomotso Maenetja (University of Limpopo)\nThe last session on Women in High Performance Computing in South Africa was propose d and held during 2019 annual conference. The major aim of the initiative was to establish a network of Women in HPC in SA\, by bringing them togeth er during the meeting. The session was supported and well attended by both men and women\, and most importantly was supported by CHPC management tea m. International speakers gave talks and fruitful discussions were achieve d. \nSubsequently\, we found it fit to have another session during CHPC 20 22 annual meeting in order to maintain and sustain this initiative most im portantly because too much time was lost due to Covid 19. \n\nIt is aimed that at the end of the session and beyond\, the following goals would be a chieved:\n• Improvement of workplace diversity.\n• Improve women's und errepresentation in HPC (Contribute in increasing the number of women and girls participation in HPC through training and networking.)\n• Share in formation and resources that foster growth for women in HPC.\n• Conduct desktop studies to understand the statistics and challenges\n• Influence policy on resources allocation\n\nhttps://events.chpc.ac.za/event/113/con tributions/1691/ LOCATION:CSIR ICC ICC-L-Amethyst - Amethyst Room URL:https://events.chpc.ac.za/event/113/contributions/1691/ END:VEVENT BEGIN:VEVENT SUMMARY:CHPC Users Birds-of-a-Feather (BoF) DTSTART;VALUE=DATE-TIME:20221201T081500Z DTEND;VALUE=DATE-TIME:20221201T091500Z DTSTAMP;VALUE=DATE-TIME:20260413T054000Z UID:indico-contribution-113-1690@events.chpc.ac.za DESCRIPTION:Speakers: Werner Janse Van Rensburg (CHPC)\nThe CHPC Users BoF is focused on engagement with all CHPC Users where an overview will be pr esented on the usage of CHPC compute resources\, discussion of topics of c ommon interest\, feedback from users to the CHPC and engagement of users w ith CHPC employees. Discussions will focus on the usage of the Lengau com pute clusters (CPU and GPU) and the Sebowa cloud infrastructure.\n\nAll us ers are encouraged to participate in this session!\n\nPresenters will incl ude: Werner Janse van Rensburg\, Dorah Thobye and Nkwe Monama\n\nhttps:// events.chpc.ac.za/event/113/contributions/1690/ LOCATION:CSIR ICC ICC-L-Amethyst - Amethyst Room URL:https://events.chpc.ac.za/event/113/contributions/1690/ END:VEVENT BEGIN:VEVENT SUMMARY:Uncovering new possibilities in Engineering with High-Performance Computing (HPC) DTSTART;VALUE=DATE-TIME:20221130T101500Z DTEND;VALUE=DATE-TIME:20221130T104500Z DTSTAMP;VALUE=DATE-TIME:20260413T054000Z UID:indico-contribution-113-1677@events.chpc.ac.za DESCRIPTION:Speakers: Charl Maré (Cauchy Consult (Pty) Ltd.)\nThe ever-in creasing complexity of engineering problems and the demand for decisive in sight are evident. As we push the boundaries of science for sustainable in novation we need to be able to continuously enhance our computational appr oaches to numerical simulation. The resource requirements for simulation-b ased design and optimization of complex components and systems are often c onsidered prohibitive. However\, with High-Performance Computing (HPC) res ources it is now possible to simulate problems with complex physics with f aster turnaround times and affordable rates.\n\nCauchy Consult’s Compute r-Aided Engineering (CAE) department specializes in simulation-based desig n and optimization across a wide range of industries. The Centre for High- Performance Computing (CHPC) is integral to Cauchy’s CAE and its mission to make the impossible possible. Performing a transient CFD simulation of the continuous recycling (re-heating) of Heavy Fuel Oil (HFO) for a 12-ho ur period was made possible by using the CHPC. As appose to running the si mulation for 210 days on our on-premises workstation it took 14 days to ru n on the CHPC using 120 cores. Solving the transient CFD simulation within the required time frame provided new insight and uncovered new possibilit ies for design and optimization.\n\nhttps://events.chpc.ac.za/event/113/co ntributions/1677/ LOCATION:CSIR ICC ICC-L-Amethyst - Amethyst Room URL:https://events.chpc.ac.za/event/113/contributions/1677/ END:VEVENT BEGIN:VEVENT SUMMARY:Climate modelling and seasonal climate forecasting at CSIR sing th e CHPC cluster DTSTART;VALUE=DATE-TIME:20221130T094500Z DTEND;VALUE=DATE-TIME:20221130T101500Z DTSTAMP;VALUE=DATE-TIME:20260413T054000Z UID:indico-contribution-113-1673@events.chpc.ac.za DESCRIPTION:Speakers: Njabulo Siyakatshana (CSIR)\nThe existence of the CH PC where our group has access to through the Lengau cluster under the proj ect ERTH0859 is providing us with the means to do our modeling activities requiring high-performance computing. These activities are the systematic and seamless dynamical and statistical downscaling tasks ranging from shor t-range weather forecasting\; seasonal climate forecasts\; to climate simu lations and projections. Over the years\, we have been using the Conformal -Cubic Atmospheric Model (CCAM) to generate high-resolution climate output s or dynamically downscale global climate models across the mentioned time spectrum over Africa\, with a closer look over Southern Africa. The clima te projections are to inform climate change impact studies\, risk and vul nerability analysis\, the formulation of adaptation strategies and climate change policy while short-range weather forecasting and seasonal forecast inform timely decision making. \n\nCurrently\, weather forecasts are bein g generated at 15km resolution over South Africa while seasonal forecasts and climate projections are generate at 8km resolution over South Africa a nd 50km over the whole of Africa. Other finer resolution data are being ge nerated for specific places within the country e.g.\, the high-resolution downscaling of urban climate over Tshwane has been completed. These urban runs are high resolution runs that use the TEB within CCAM to simulate the urban form\, in order to simulate the urban heat island in current and fu ture climate. This is important to assist urban areas in understanding the spatial differences in exposure to heat\, and impacts on air quality and health. This is a unique capability to the CSIR modelling team\, and due t o its computational expense\, this task among other dynamical modelling ta sks would not be possible without the CHPC. In addition\, the improvement of the seasonal forecasting system has continuing with the use of the CHPC . We also have other limited area models we have started exploring e.g.\, the Weather and Forecasting non-hydrostatic model to complement the CCAM m odel-based runs. These model runs continue to highly support much of the research in the group.\n\nhttps://events.chpc.ac.za/event/113/contributio ns/1673/ LOCATION:CSIR ICC ICC-L-Amethyst - Amethyst Room URL:https://events.chpc.ac.za/event/113/contributions/1673/ END:VEVENT BEGIN:VEVENT SUMMARY:CHPC's biotech industry support - From luxury to necessity DTSTART;VALUE=DATE-TIME:20221130T084500Z DTEND;VALUE=DATE-TIME:20221130T091500Z DTSTAMP;VALUE=DATE-TIME:20260413T054000Z UID:indico-contribution-113-1678@events.chpc.ac.za DESCRIPTION:Speakers: Hamilton Ganesan (inqaba biotec)\nNext Generation Se quencing of DNA is now a common\, almost routine\, part of many labs in th e molecular biology space. This inadvertently means a greater burden in te rms of data storage and compute requirements. This is downside of more acc essible NGS platforms. The upside however far outweighs the inherent chall enges. With the changing landscape of how molecular biology and diagnostic s is done\, the need for reliable high-end compute resources and storage n ecessitated our need for the CHPC's infrastructure. The CHPC and their ste rling support to inqaba biotec over the years has enabled us to improve ou r services and result delivery to our existing customers and\, allowed us to realistically conceptualize even bigger projects\, much of which will b e geared toward Human health and food security issues.\n\nhttps://events.c hpc.ac.za/event/113/contributions/1678/ LOCATION:CSIR ICC ICC-L-Amethyst - Amethyst Room URL:https://events.chpc.ac.za/event/113/contributions/1678/ END:VEVENT BEGIN:VEVENT SUMMARY:Molecular simulations for material optimization DTSTART;VALUE=DATE-TIME:20221130T081500Z DTEND;VALUE=DATE-TIME:20221130T084500Z DTSTAMP;VALUE=DATE-TIME:20260413T054000Z UID:indico-contribution-113-1676@events.chpc.ac.za DESCRIPTION:Speakers: Paola Carbone (The University of Manchester)\nIn thi s talk I'll discuss how molecular dynamics and multiscale modelling can be used to accelerate material discovery and optimisation. I'll give an intr oduction to the techniques and HPC requirements and show two examples wher e molecular modelling has helped to optimize fillers composition for polym er composites and electrolytes for energy storage applications.\n\nhttps:/ /events.chpc.ac.za/event/113/contributions/1676/ LOCATION:CSIR ICC ICC-L-Amethyst - Amethyst Room URL:https://events.chpc.ac.za/event/113/contributions/1676/ END:VEVENT END:VCALENDAR