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DTSTART;TZID=Europe/Stockholm:20230609T090000
DTEND;TZID=Europe/Stockholm:20230612T160000
DTSTAMP:20260430T161846
CREATED:20230426T102454Z
LAST-MODIFIED:20230607T070452Z
UID:24591-1686301200-1686585600@enccs.se
SUMMARY:GPU Programming: Why\, When and How?
DESCRIPTION:This is a two day online course given on Friday 9th and Monday 12th of June. \n\n\n\nOn June 16 there will additionally be an optional mini-hackathon event where you are invited to bring your own code\, that you want to port to GPUs\, and get expert help from mentors. \n\n\n\nGraphical processing units (GPUs) are the workhorse of many high performance computing (HPC) systems around the world. The number of GPU-enabled supercomputers on the Top500 has been steadily increasing in recent years and this development is expected to continue. In the near future the majority of HPC computing power available to researchers and engineers is likely to be provided by GPUs or other types of accelerators. Programming GPUs and other accelerators is thus increasingly important to developers who write software which is executed on HPC systems. \n\n\n\nHowever\, the landscape of GPU hardware\, software and programming environments is complicated. Multiple vendors compete in the high-end GPU market\, each vendor provides their own software stack and development toolkits\, and even beyond that there is a proliferation of tools\, languages and frameworks that can be used to write code for GPUs. It can thus be difficult for individual developers and project owners to know how to navigate this landscape and select the most appropriate GPU programming framework for their projects based on the requirements of a given project and technical specifics of any existing code. \n\n\n\nThis workshop is based on a multilateral collaboration between GPU programming specialists from KTH in Sweden\, HPC2N in Umeå\, CSC in Finland\, NRIS in Norway\, Aarhus University in Denmark\, Vilnius University in Lithuania\, Aalto University in Finland\, and ENCCS. It is meant to help both software developers and decision makers navigate the GPU programming landscape and make more informed decisions on which languages or frameworks to learn and use for their projects.  \n\n\n\nAim of the workshop\n\n\n\n\nUnderstand why and when to use GPUs.\n\n\n\nBecome comfortable with key concepts in GPU programming.\n\n\n\nAcquire a comprehensive overview of different software frameworks\, what levels they operate at\, and which to use when.\n\n\n\nLearn the fundamentals in at least one framework to a level which will enable you to quickly become a productive GPU programmer.\n\n\n\n\nPrerequisites\n\n\n\nThis workshop is most relevant to researchers and engineers who already develop software which runs on CPUs in workstations or supercomputers\, but also to decision makers or project managers who don’t write code but make strategic decisions in software projects\, whether it’s in academia\, industry or the public sector. \n\n\n\nFamiliarity with one or more programming languages like C/C++\, Fortran\, Python or Julia is recommended. \n\n\n\nAgenda\n\n\n\nFriday 9 June 2023 \n\n\n\n[ninja_tables id=”25486″]\n\n\n\nMonday 12 June 2023 \n\n\n\n[ninja_tables id=”25487″]\n\n\n\nRegistration\n\n\n\nRegistrations are now closed. \n\n\n\nDeadline: 26 May 2023 \n\n\n\nMini-hackathon on June 16\n\n\n\nAs a follow-up to the training workshop on June 9 and 12\, you have the option to attend an online “mini-hackathon” on June 16 from 9:00-15:00. If you have a code that you would like to port to GPUs with the skills you learned during the workshop\, you are invited to attend the mini-hackathon and get help from experts. To register for the mini-hackathon please additionally fill out the registration form at https://events.prace-ri.eu/event/1502/registrations/1102/ \n\n\n\n \n\n\n\nContact\n\n\n\nFor any questions contact us at training@enccs.se \n\n\n\n———— \n\n\n\nThis training is intended for users established in the European Union or a country associated with Horizon 2020. You can read more about the countries associated with Horizon2020 here https://ec.europa.eu/info/research-and-innovation/statistics/framework-programme-facts-and-figures/horizon-2020-country-profiles_en
URL:https://enccs.se/events/2023-06-gpu-programming/
LOCATION:Online
CATEGORIES:Collaboration Event,ENCCS Event
ATTACH;FMTTYPE=image/jpeg:https://media.enccs.se/2023/04/GPU-Course-why-when-how.jpg
END:VEVENT
BEGIN:VEVENT
DTSTART;TZID=Europe/Stockholm:20230509T090000
DTEND;TZID=Europe/Stockholm:20230511T160000
DTSTAMP:20260430T161846
CREATED:20230417T121031Z
LAST-MODIFIED:20230417T121214Z
UID:24326-1683622800-1683820800@enccs.se
SUMMARY:CodeRefinery Best Practices Workshop
DESCRIPTION:Do you write code for your research? Do you manage data? Most importantly\, are you doing it properly? Has it ever happened to you to have to rewrite or simply copy-paste codes from one folder to another\, possibly losing things during the process? Have you ever opened an old code you wrote and had no clue what it does? Maybe you feel you waste a lot of time doing a lot of manual work to process your data and would like to automate it? Or maybe you also are not doing any of this yet\, but would like to avoid these issues from happening in the future and do things properly from the beginning? \n\n\n\nIf you answered yes to any of the previous questions\, then you are strongly encouraged to participate in the CodeRefinery workshop in Uppsala on May 9-11\, 2023. \n\n\n\nENCCS will provide helpers at the workshop. \n\n\n\nTopics\n\n\n\n\nUsing Git to maintain your codes and collaborate with others\n\n\n\nPrinciples of reproducible research and FAIR\n\n\n\nGood coding practices in general (writing documentation\, testing\, how to choose an appropriate license)\n\n\n\nThe Workshop will not teach you to code\, but all the “good practice skills” that are needed to write good maintainable software and achieve reproducible research.\n\n\n\n\nThe workshop will alternate between type-along tutorials and hands-on exercises. You may register for parts of the workshop. \n\n\n\nRegistration\n\n\n\nMore information and the registration form may be found on the workshop page: https://coderefinery.github.io/2023-05-09-uppsala \n\n\n\nFollow our Events Schedule\n\n\n\nFollow us on Twitter and subscribe to our Newsletter to stay tuned to our events and other news.
URL:https://enccs.se/events/2023-05-coderefinery-best-practices/
LOCATION:Ångström laboratory\, Uppsala\, Sweden\, Lägerhyddsvägen 1\, Uppsala\, 752 37\, Sweden
CATEGORIES:Collaboration Event
ATTACH;FMTTYPE=image/jpeg:https://media.enccs.se/2020/11/Coderefinery-3D-icon.jpg
END:VEVENT
BEGIN:VEVENT
DTSTART;TZID=Europe/Stockholm:20230404T100000
DTEND;TZID=Europe/Stockholm:20230405T170000
DTSTAMP:20260430T161846
CREATED:20230215T153546Z
LAST-MODIFIED:20230330T123516Z
UID:22046-1680602400-1680714000@enccs.se
SUMMARY:VASP best practices workshop
DESCRIPTION:About\n\n\n\nIn this NSC NAISS-ENCCS workshop\, including seminars and hands-on sessions\, we will consider how to run the Vienna Ab-initio Simulation Package (VASP) efficiently on supercomputers. The workshop is mostly suitable for beginners and intermediate users at different stages and the focus will be on best practices for running VASP calculations. The hands-on part will be done at the Tetralith cluster in Sweden and EuroHPC JU Meluxina cluster. Parts of the seminars (to be made available for download) can also be of interest for advanced users. \n\n\n\nPrerequisites\n\n\n\n\nBasic experience with using the command line in a Linux/Unix environment\n\n\n\nUseful but not necessary: basic knowledge of electronic structure theory and/or DFT\n\n\n\n\nRegistration\n\n\n\nRegistration is now closed. \n\n\n\nTopics\n\n\n\nThe seminars include: \n\n\n\n\nbasic theory\, DFT and PAW-method\n\n\n\ngeneral introduction to VASP\, essential files and parameters\, workflow\n\n\n\nrunning VASP at HPC centers\, CPUs and GPUs (examples from NAISS)\n\n\n\nperformance analysis\n\n\n\ncommon issues\n\n\n\npost-processing tools\n\n\n\n\nThe hands-on sessions include: \n\n\n\n\nrunning VASP calculations step-by-step on the Tetralith or MeluXina\n\n\n\nQ&A\n\n\n\n\nMaterial\n\n\n\nMaterials for the seminars and hands-on sessions will be made available later. \n\n\n\nTentative Agenda\n\n\n\nBreaks: Apart from the 1h lunch break for people joining the hands-on sessions\, there will be 10-15 min breaks every hour. \n\n\n\nTuesday – 4 April 2023\n\n\n\n[ninja_tables id=”22050″]\n\n\n\nWednesday – 5 April 2023\n\n\n\n[ninja_tables id=”22051″]\n\n\n\nInstructors\n\n\n\n\nWeine Olovsson – Instructor (NSC)\n\n\n\nPavlin Mitev – Teaching assistant (Uppmax)\n\n\n\nDiana Iusan – Teaching assistant (Uppmax)\n\n\n\nLuis Casillas Trujillo – Teaching assistant (NSC)\n\n\n\n\nOrganization\n\n\n\nThis is event is organised by Weine Olovsson (NSC) and Thor Wikfeldt (ENCCS).  \n\n\n\nFollow our Events Schedule\n\n\n\nFollow us on Twitter and subscribe to our Newsletter to stay tuned to our events and other news. \n\n\n\n———— \n\n\n\nThis training is intended for users established in the European Union or a country associated with Horizon 2020. You can read more about the countries associated with Horizon2020 here https://ec.europa.eu/info/research-and-innovation/statistics/framework-programme-facts-and-figures/horizon-2020-country-profiles_en
URL:https://enccs.se/events/vasp-best-practices-workshop/
LOCATION:Online
CATEGORIES:Collaboration Event
ATTACH;FMTTYPE=image/jpeg:https://media.enccs.se/2023/02/VASP-workshop.jpg
END:VEVENT
BEGIN:VEVENT
DTSTART;TZID=Europe/Stockholm:20230321T080000
DTEND;TZID=Europe/Stockholm:20230330T170000
DTSTAMP:20260430T161846
CREATED:20230221T085942Z
LAST-MODIFIED:20230221T085944Z
UID:22229-1679385600-1680195600@enccs.se
SUMMARY:CodeRefinery Online Workshop in Best Practices and Tools for Software Development
DESCRIPTION:This CodeRefinery online workshop will take place for 6 half-days in two instalments\, March 21-23 and March 28-30\, 2023. \n\n\n\nIn this course\, you will become familiar with tools and best practices for version control and reproducibility in modern research software development. The main focus is on using Git for efficiently writing and maintaining research software. \n\n\n\nWe will not teach programming\, but we teach the tools you need to use programming well. We assume that you are familiar with the programming language that you use in your work and research. We try to keep the course as language-independent as possible but we will show some basic code examples in Python. \n\n\n\nThis is an informal and interactive online event with type-along type of presentations\, live coding\, and demos. Short tutorials alternate with practical exercises. \n\n\n\nSchedule and Registration\n\n\n\nFor an up-to-date schedule and registration please visit the course’s page https://coderefinery.github.io/2023-03-21-workshop/.
URL:https://enccs.se/events/coderefinery-best-practices-march-2023/
LOCATION:Online
CATEGORIES:Collaboration Event
ATTACH;FMTTYPE=image/jpeg:https://media.enccs.se/2020/11/Coderefinery-3D-icon.jpg
END:VEVENT
BEGIN:VEVENT
DTSTART;TZID=Europe/Stockholm:20230307T090000
DTEND;TZID=Europe/Stockholm:20230316T170000
DTSTAMP:20260430T161846
CREATED:20221129T081832Z
LAST-MODIFIED:20230116T104601Z
UID:18447-1678179600-1678986000@enccs.se
SUMMARY:AMD GPU Hackathon
DESCRIPTION:About the event\nDardel is a Swedish flagship supercomputer operated by PDC at KTH in Stockholm. It is an HPE Cray EX system with AMD EPYC™ 64 core CPUs and AMD Instinct MI250X GPUs. Compute time on Dardel is available for academic research via NAISS. \nThis hackathon is for teams of research software developers who want to accomplish one or more of the following goals: \n\nPort their code to run on AMD Instinct™ GPUs using a GPU programming framework like HIP\, OpenMP\, SYCL etc.\nImprove the performance of a code that already runs on AMD Instinct™ GPUs.\nScale up their codes to multiple AMD Instinct™ GPUs.\n\nDuring the hackathon\, project teams will be paired up with expert mentors from HPE\, AMD\, PDC and ENCCS who will guide them during the hackathon to accomplish their stated goals. Teams should have at least two members who are prepared to work full-time on their projects for the duration of the hackathon. We furthermore also strongly encourage diversity in project teams. \nLocation\nThis hackathon will take place over four days split over two weeks. The first day of the hackathon\, March 7\, will be online while the main work will be hosted on-site on KTH Campus at Drottning Kristinas väg 61\, 114 28 in Stockholm\, Sweden\, on March 14-16. \nRequirements\n\nTeams should consist of at least two\, and preferably three\, members who are ready to actively participate during the event.\nTeams should know their application well and have the programming experience to modify the code.\nProjects should be under an open-source license.\n\nNo advanced GPU skills are required\, but it is helpful for teams to know the basics of GPU programming and profiling. Team members should get familiar with aspects of the AMD ROCm™ open software and the AMD HIP programming language (https://docs.amd.com/). \nTravel and accommodation\nAirport (Arlanda) to Stockholm city\nThere are different ways to reach the city from Arlanda airport. \n\nArlanda Express (high-speed train)\nFlygbussarna (Bus)\nPublic transportation (Commuter rail)\n\nAccommodation\nThere are multiple hotels and hostels near Drottning Kristinas väg 61. You can check the following websites for more information \n\nView Stockholm has information on hotels and hostels around and in the Stockholm area\nThe usual suspects in online booking like booking.com and airbnb.com have also large selection of accommodations near the hackathon premises\n\nTentative Agenda\nMarch 7 \n[ninja_tables id=”18404″] \nMarch 13 \n[ninja_tables id=”18405″] \nMarch 14 \n[ninja_tables id=”18406″] \nMarch 15 \n[ninja_tables id=”18407″] \nMarch 16 \n[ninja_tables id=”18408″] \nCompute Resource\nTeams attending the event will be given access to the Dardel system ahead of the hackathon. \nProject Submission\nTo apply for participation in this hackathon please describe your project in detail in the registration form below. Note that all team members should register and fill the “Personal information” section\, but only one person in your team needs to fill the “Project description” section. Applications will be reviewed by an expert panel according to the following requirements: \n\nThe project team should consist of at least two members who know the code well.\nDiversity in the project team.\nThe project should be described in sufficient detail and have well-defined goals for efficiency or for scaling up.\nThe code should have a significant impact (or large potential for significant impact) for a specific organisation or a wide community\nThe code should be open source. A link to the source code should be included in the application.\nProjects should have a build system based on standard tools like Make or CMake\, and teams should be prepared to compile the code on the Dardel system before the hackathon.\nAvailability of expertise needed to successfully support the project.\n\nAhead of the hackathon\, accepted teams should be prepared to: \n\nGo through learning resources on the AMD ROCm™ software ecosystem recommended by the organisers.\nMake an effort to profile their code ahead of the hackathon for relevant input decks to identify performance critical code regions and possibly performance bottlenecks.\nBe ready to (virtually) meet at least once with their expert mentor(s) to prepare for the hackathon.\nInstall\, compile\, and execute their application on Dardel to ensure that nothing is missing in the Dardel environment.\nCommit to providing feedback to PDC/KTH local support team and expert mentors.\n\nRegistration\nPlease register by following this link https://events.prace-ri.eu/event/1469/\nApplication deadline: Feb 7 \nContact\nFor any questions contact us at training@enccs.se \nFollow our Events Schedule\nFollow us on Twitter and subscribe to our Newsletter to stay tuned to our events and other news.\n\n———— \n\n\nThis training is intended for users established in the European Union or a country associated with Horizon 2020. You can read more about the countries associated with Horizon2020 here https://ec.europa.eu/info/research-and-innovation/statistics/framework-programme-facts-and-figures/horizon-2020-country-profiles_en
URL:https://enccs.se/events/2023-03-amd-gpu-hackathon/
LOCATION:Online
CATEGORIES:Collaboration Event,ENCCS Event,Hackathon
ATTACH;FMTTYPE=image/jpeg:https://media.enccs.se/2022/11/amd-hpe-GPU-hackathon.jpg
END:VEVENT
BEGIN:VEVENT
DTSTART;TZID=Europe/Stockholm:20221122T090000
DTEND;TZID=Europe/Stockholm:20221125T120000
DTSTAMP:20260430T161846
CREATED:20221012T180713Z
LAST-MODIFIED:20230116T102617Z
UID:17636-1669107600-1669377600@enccs.se
SUMMARY:Python for Scientific Computing
DESCRIPTION:Overview\nPython is a modern\, object-oriented programming language\, which has become popular in several areas of software development. This course discusses how Python can be utilised in scientific computing. The workshop starts by introducing the main Python package for numerical computing\, NumPy\, and discusses the SciPy toolbox for various scientific computing tasks as well as visualization with the Matplotlib package. In addition\, it talks about how Python is used: related scientific libraries\, reproducibility\, and the broader ecosystem of science in Python. \nThis multilateral collaborative workshop is hosted by Aalto Scientific Computing (Aalto University\, Finland) in partnership with CodeRefinery\, ENCCS and other organisations. The lesson material can be found at https://aaltoscicomp.github.io/python-for-scicomp/  \nThe workshop will be streamed via Twitch so that anyone may follow along without registration. However\, ENCCS is hosting a Zoom room with expert helpers who will organise breakout rooms and provide hands-on assistance during exercise sessions. \nPrerequisites\n\nKnowing basic Python syntax. We assume that you can do some Python programming\, but not much more that that. We don’t cover standard Python programming.\nWatch or read the command line crash course if you aren’t familiar.\nYou should be able to use a text editor to edit files some.\nThe software installation (basically\, anaconda).\n\nThese are not prerequisites:  \n\nAny external libraries\, e.g. numpy\nKnowing how to make scripts or use Jupyter\n\nTentative agenda \nTue 22 Nov\, 09:00-12:00  \n\nIntro \n09:15 Jupyter \n10:00 numpy \n11:10 pandas… \n\nWed 23 Nov\, 09:00-12:00  \n\n… pandas continued \n09:30 matplotlib \n11:10 data formats \n\nThu 24 Nov\, 09:00-12:00  \n\nscripts \n10:10 scipy \n10:30 library ecosystem \n11:10 parallel… \n\nFri 25 Nov\, 09:00-12:00  \n\n… parallel continued(?) \n09:00 dependency management \n10:10 binder \n10:50 packaging \n11:30 panel discussion or buffer time? \n11:50 Outro \n12:00 After-party/discussion in zoom \n\nFollow-up  \nThe ENCCS workshop on High Performance Data Analytics in Python\, which goes more in-depth on tools for high-performance and large-scale Python\, is a logical follow-up to this workshop. The next HPDA-Python workshop will be held in February 2023 – sign up to the ENCCS newsletter or follow us on social media to receive information on when registration opens.  \nRegistration \nThe workshop will be streamed on Twitch (https://twitch.tv/coderefinery) and to follow the workshop on your own you will not need to register. However\, if you would like to participate with others and work on exercises in teams with help from ENCCS expert helpers\, please register at https://events.prace-ri.eu/event/1456/registrations/1074/.\nIf you only want to follow the Twitch stream\, you can sign up to get emails with practical information about the workshop at: https://scicomp.aalto.fi/training/scip/python-for-scicomp-2022/ \nContact\nFor any questions contact us at training@enccs.se \nFollow our Events Schedule\nFollow us on Twitter and subscribe to our Newsletter to stay tuned to our events and other news.\n\n———— \n\n\nThis training is intended for users established in the European Union or a country associated with Horizon 2020. You can read more about the countries associated with Horizon2020 here https://ec.europa.eu/info/research-and-innovation/statistics/framework-programme-facts-and-figures/horizon-2020-country-profiles_en
URL:https://enccs.se/events/2022-11-python-for-scientific-computing/
LOCATION:Online
CATEGORIES:Collaboration Event
ATTACH;FMTTYPE=image/jpeg:https://media.enccs.se/2022/10/python-for-scientific-computing-43.jpg
END:VEVENT
BEGIN:VEVENT
DTSTART;TZID=Europe/Stockholm:20221004T080000
DTEND;TZID=Europe/Stockholm:20221007T130000
DTSTAMP:20260430T161846
CREATED:20220929T112702Z
LAST-MODIFIED:20241031T070210Z
UID:17264-1664870400-1665147600@enccs.se
SUMMARY:HPC for research and development - EuroCC Latvia/ENCCS
DESCRIPTION:Overview\n\n\n\nWe invite you to take part in a scientific workshop “HPC for research and development” taking place from October 4 to October 6 at “Avalon hotel Riga” (Address: 13th January street 19\, Riga\, Latvia). \n\n\n\nEach day will be dedicated to a specific topic – achievements and prospects\, best practices in Europe on training and education\, as well as oven-ready HPC applications. \n\n\n\nWe invite everyone – scientists and other members of academia\, public sector representatives\, as well as industry – to take part in the workshop. The agenda will be relevant to everyone interested in scientific achievements and their practical use in different fields. \n\n\n\nDuring the scientific workshop\, participants will be introduced to opportunities given by HPC at different centres of excellence in Europe as well as achievements in Latvia. Practical examples for using the HPC will be given as well. \n\n\n\nThe event is planned on-site\, however\, there will be a possibility to join via Zoom platform. The link will be sent to registered participants who will have chosen the option to participate remotely. \n\n\n\nIn order to take part\, please register using this link https://www.eventbrite.fi/e/scientific-workshop-hpc-for-research-and-development-tickets-425646388807?aff=ebdssbdestsearch. \n\n\n\nAgenda\n\n\n\nFor updated agenda please visit the event’s webpage by following this link https://eurocc-latvia.lv/workshop-hpc-for-research-and-development/?lang=en.
URL:https://enccs.se/events/hpc-for-research-and-development/
CATEGORIES:Collaboration Event,ENCCS Event
ATTACH;FMTTYPE=image/png:https://media.enccs.se/2022/09/October-4-6-2022-Riga-Latvia-3-845x684-1.png
END:VEVENT
BEGIN:VEVENT
DTSTART;TZID=Europe/Stockholm:20220614T090000
DTEND;TZID=Europe/Stockholm:20220617T123000
DTSTAMP:20260430T161846
CREATED:20220421T122326Z
LAST-MODIFIED:20230116T102617Z
UID:14769-1655197200-1655469000@enccs.se
SUMMARY:Intermediate Topics in MPI
DESCRIPTION:This workshop targets programmers in both academia and industry who already have experience with basic MPI and are ready to take the next step to more advanced usage. Topics which will be covered include communicators\, groups\, derived data types\, one-sided communication\, non-blocking collectives and hybrid MPI+threading approaches. Lectures will be interleaved with hands-on exercises. All exercises will be written in C\, but the instructors will be able to answer questions about MPI in Fortran and Python. \nFor this workshop ENCCS partners up with our friends at PDC and HPC2N. \nThe Message Passing Interface (MPI) is the de facto standard for distributed memory parallelism in high performance computing (HPC). MPI is the dominant programming model for modern day supercomputers and will continue to be critical in enabling researchers to scale up their HPC workloads to forthcoming pre-exascale and exascale systems within EuroHPC and elsewhere. \nPre-requisites\n\nFamiliarity with MPI in C/C++\, Fortran or Python\, either from introductory courses or workshops (e.g. PDC’s Introduction to MPI\, or SNIC’s introduction to parallel programming course) or through self-taught usage.\nFamiliarity with C/C++\nBasic Linux command line skills\nExisting access to a computing cluster or own computer with MPI and compilers installed.\n\nInstructors\n\nXin Li\, PhD\nPedro Ojeda May\, PhD\nRoberto Di Remigio Eikås\, PhD\n\nTentative schedule\nDay 1 – Tuesday 14 June 2022 – Communicators\, groups\, derived datatypes\n[ninja_tables id=”14774″] \nDay 2 – Wednesday 15 June 2022 – Collective communication (including nonblocking)\n[ninja_tables id=”14776″] \nDay 3 – Thursday 16 June 2022 – One-sided communication\n[ninja_tables id=”14777″] \nDay 4 – Friday 17 June 2022 – MPI and threads\n[ninja_tables id=”14778″] \nTraining material\nhttps://enccs.github.io/intermediate-mpi/ \nRegistration\nTo register for this event please follow this link https://events.prace-ri.eu/event/1395/registrations/1037/ \nContact\nFor questions please contact us at training@enccs.se.
URL:https://enccs.se/events/2022-06-intermediate-topics-in-mpi/
LOCATION:Online
CATEGORIES:Collaboration Event,ENCCS Event
ATTACH;FMTTYPE=image/jpeg:https://media.enccs.se/2022/04/Intermediate-MPI-3r.jpg
END:VEVENT
BEGIN:VEVENT
DTSTART;TZID=Europe/Stockholm:20220608T090000
DTEND;TZID=Europe/Stockholm:20220610T163000
DTSTAMP:20260430T161846
CREATED:20220408T155404Z
LAST-MODIFIED:20230116T102617Z
UID:14448-1654678800-1654878600@enccs.se
SUMMARY:The 10th OpenMolcas Developers' Workshop [Hybrid]
DESCRIPTION:Overview\n\n\nWe are pleased to announce the 10th edition of the OpenMolcas developers’ workshop\, bringing together the community of developers\, users\, and anyone else interested in the project. This year the workshop is hosted by the Quantum Chemistry Group at Uppsala University and we are very excited to announce that ENCCS teams up with TREX for the organization\, but most importantly will contribute to the scientific part as well! \nPlease visit the workshop’s website to find our more.\nhttps://enccs.github.io/openmolcas-2022/ \nRegistration\nhttps://events.prace-ri.eu/event/1376/registrations/1021/ \n 
URL:https://enccs.se/events/2022-06-openmolcas-dev-workshop/
LOCATION:Uppsala university\, Ångström laboratory\, room 80127 (house 8\, floor 0)\, Upssala\, Sweden
CATEGORIES:Collaboration Event
ATTACH;FMTTYPE=image/jpeg:https://media.enccs.se/2022/04/open-molcas-workshop-uppsala.jpg
END:VEVENT
BEGIN:VEVENT
DTSTART;TZID=Europe/Stockholm:20220608T090000
DTEND;TZID=Europe/Stockholm:20220609T160000
DTSTAMP:20260430T161846
CREATED:20220318T110308Z
LAST-MODIFIED:20230116T102617Z
UID:14090-1654678800-1654790400@enccs.se
SUMMARY:Introduction to Quantum Computing & Hybrid HPC-QC Systems
DESCRIPTION:Overview\nRecent developments in quantum technology are bringing the world closer to a new technological revolution – the advent of usable quantum computers able to provide enormous acceleration to important computational tasks​. In coming years\, quantum computing is expected to have a huge impact on practically all areas of research that can utilise computational modelling. \nStarting operations in April this year\, the NordΙQuEst project brings together a consortium of seven partners from five Nordic and Baltic countries to connect world-leading traditional HPC resources and quantum computers across national borders with the aim to establish a quantum computing platform customised to the needs of the region. \nENCCS is now joining forces with NordIQuEst to deliver a two-day training workshop covering the fundamentals of quantum computing (QC)\, including: \n\nIntroduction to key concepts: quantum states\, qubits\, quantum algorithms\nQC programming in high-level languages for use cases in optimisation\, finance and quantum chemistry followed by testing quantum programs to esure their correctness\nOverview of the main QC hardware approaches\nIntegration of QC with classical computing: hybrid classical/quantum algorithms and HPC-QC systems.\n\nMorning lectures are combined with afternoon hands-on sessions where participants learn to use high-level QC programming languages using simulators. \nPrerequisites\nFor the hands-on training sessions\, basic familiarity with Python and some experience working in a Unix environment are desirable. No previous experience with quantum computers expected. \nPreliminary Agenda\nWednesday\, 8 June 2022 \n[ninja_tables id=”14101″] \nThursday\, 9 June 2022 \n[ninja_tables id=”14102″] \nRegistration\nRegistrations are now closed for this event. \nFor questions regarding this event please contact us at training@enccs.se. \n\n\n\nThis training is intended for users established in the European Union or a country associated with Horizon 2020. You can read more about the countries associated with Horizon2020 here https://ec.europa.eu/info/research-and-innovation/statistics/framework-programme-facts-and-figures/horizon-2020-country-profiles_en
URL:https://enccs.se/events/2022-06-quantum-computing/
LOCATION:Online
CATEGORIES:Collaboration Event,ENCCS Event
ATTACH;FMTTYPE=image/jpeg:https://media.enccs.se/2022/03/Quantum-computing-enccs-nordiquest.jpg
END:VEVENT
BEGIN:VEVENT
DTSTART;TZID=Europe/Stockholm:20220303T090000
DTEND;TZID=Europe/Stockholm:20220304T120000
DTSTAMP:20260430T161846
CREATED:20220114T123640Z
LAST-MODIFIED:20220204T090618Z
UID:12267-1646298000-1646395200@enccs.se
SUMMARY:VeloxChem: Quantum Chemistry Towards Pre-exascale and Beyond - ENCCS/PDC
DESCRIPTION:Overview\nQuantum molecular modeling of complex molecular systems is an indispensable and integrated component in advanced material design\, as such simulations provide a microscopic insight into the underlying physical processes. ENCCS and PDC will offer training on using the VeloxChem program package. We will highlight its efficient use on modern HPC architectures\, such as the Dardel system at PDC and the pre-exascale supercomputer LUMI\, 50% of which is available to academic users of the consortium states\, including Sweden and Denmark. This event is for researchers and students already familiar with quantum chemistry that want to learn how to: \n\nPerform quantum chemical simulations of ground- and excited-state properties on large systems and with efficient use of HPC resources.\nUnderstand the performance considerations that influence algorithm design in quantum chemistry.\nEvaluate the best setup for large scale quantum chemical simulations on HPC hardware.\n\nLearning outcomes\nIn this workshop\, you will learn how to use the VeloxChem program package to: \n\nPerform quantum chemical simulations of ground- and excited-state properties of large systems.\nLeverage the aggregate resources of the modern HPC architectures like Dardel and the pre-exascale supercomputer LUMI to efficiently tackle large molecular systems.\nUse the Python application programming interface (API) of VeloxChem to analyze your results.\n\nPrerequisites\nWe assume that participants have: \n\nA sufficiently thorough prior knowledge of self-consistent field theory\, at the level presented in the Modern Quantum Chemistry textbook by Szabo and Ostlund.\nWorked previously with other quantum chemical software packages.\nSome familiarity with the Python programming language.\n\nAgenda\nTo be announced soon. \nRegistration\nPlease register by following this link https://events.prace-ri.eu/event/1291/registrations/951/ \nContact\nFor questions regarding this event please contact us at training@enccs.se. \n————\nThis training is intended for users established in the European Union or a country associated with Horizon 2020. You can read more about the countries associated with Horizon2020 here https://ec.europa.eu/info/research-and-innovation/statistics/framework-programme-facts-and-figures/horizon-2020-country-profiles_en
URL:https://enccs.se/events/events-2022-march-veloxchem-workshop/
LOCATION:Online
CATEGORIES:Collaboration Event,ENCCS Event
ATTACH;FMTTYPE=image/jpeg:https://media.enccs.se/2021/11/Veloxchem-34-event.jpg
END:VEVENT
BEGIN:VEVENT
DTSTART;TZID=Europe/Stockholm:20220207T090000
DTEND;TZID=Europe/Stockholm:20220209T123000
DTSTAMP:20260430T161846
CREATED:20211220T075014Z
LAST-MODIFIED:20220114T083136Z
UID:11912-1644224400-1644409800@enccs.se
SUMMARY:GROMACS Workshop - ENCCS/CSC/BioExcel
DESCRIPTION:Overview\nThis course gives advanced practical tips on how to run GROMACS MD simulations efficiently on modern hardware including both CPUs and GPUs. In addition to speeding up MD simulations\, also workflow automation\, advanced sampling techniques\, and future developments are discussed. The course consists of lectures and hands-on exercises. GROMACS will be used in the exercise sessions. \nThe event is organized in collaboration with BioExcel\, CSC\, ENCCS and supported by EuroCC. \nLearning Outcome\nAfter the course the participants should have the skills and knowledge needed to 1) efficiently use CPU and GPU resources in GROMACS simulations 2) apply workflows and python API for GROMAC simulations and 3) run QM/MM simulations. \nPrerequisites\nThe participants are required to be familiar with MD\, have working knowledge of GROMACS\, and basics of BioBB\, also basic Python and Linux/Unix skills are required. The fundamentals of MD or basic usage of GROMACS are not covered on this course. Please consult the following materials\, if you’re uncertain of your Python\, Linux or GROMACS or BioBB skills: \n\nLectures on the basis of molecular dynamics simulation (videolinks: part I\, part II)\nMD with GROMACS tutorials (link)\nA basic Python introduction (link\, available also via CSC Notebooks)\, in addition to the very basics\, knowing functions\, decorators and ‘with’ context manager will be useful.\nA short guide to Jupyter Notebook (pdf)\nLinux commands\, bash shell\, a quiz and a link to intro course (link)\nBioBB introductory videos (link)\, installation tutorials (link) and demonstration workflows (link)\n\nGPU Compute Resources\nCSC’s Puhti supercomputer will be used for the hands-on exercises. \nLecturers\n\nDr. Alessandra Villa\, PDC Center for High Performance Computing\, KTH Royal Institute of Technology\nDr. Berk Hess\, Theoretical and Computational Biophysics\, KTH Royal Institute of Technology\nDr. Adam Hospital\, Molecular Modelling and Bioinformatics\, Institute of Research in Biomedicine\, Barcelona\nDr. Eric Irrgang\, Department of Molecular Physiology and Biological Physics\, University of Virginia\, Charlottesville\nDr. Dmitry Morozov\, Department of Chemistry\, University of Jyväskylä\nDr. Artem Zhmurov\, The EuroCC National Competence Center Sweden (ENCCS)\, Stockholm\n\nAgenda & Registration\nFor updated agenda and registration please follow this link https://ssl.eventilla.com/attend/mWeRZ \n————\nThis training is intended for users established in the European Union or a country associated to Horizon 2020.
URL:https://enccs.se/events/gromacs-2022-02/
LOCATION:Online
CATEGORIES:Collaboration Event,ENCCS Event
ATTACH;FMTTYPE=image/jpeg:https://media.enccs.se/2021/05/Gromacs-logo.jpg
END:VEVENT
BEGIN:VEVENT
DTSTART;TZID=Europe/Stockholm:20211207T090000
DTEND;TZID=Europe/Stockholm:20211208T160000
DTSTAMP:20260430T161846
CREATED:20211020T085123Z
LAST-MODIFIED:20211125T120449Z
UID:11325-1638867600-1638979200@enccs.se
SUMMARY:ONLINE PATC: OpenFOAM training workshop
DESCRIPTION:Summary\n\n\n\nOpenFOAM is a widely-used open-source code in computational fluid dynamics (CFD).  OpenFOAM uses finite volume method to solve governing equations of fluid motion through modules written in C++.  This workshop will cover all foundational aspects of OpenFOAM\, including an introduction to OpenFOAM enviroment as well as running on HPC resources.  It will be useful for new users to broaden their basic knowledge of OpenFOAM. \n\n\n\nThe training will run on the KTH PDC Dardel system. For Dardel specs and the details\, see https://www.pdc.kth.se/hpc-services/computing-systems. \n\n\n\nThis course will be provided in cooperation with EXCELLERAT. \n\n\n\nPrerequisites\n\n\n\nBasic knowledge of using Linux will be required. Participants are expected to know basic numerical analysis and have CFD theoretical background. \n\n\n\nRegistration\n\n\n\nYou can register by following this link \n\n\n\nhttps://events.prace-ri.eu/event/1278/registrations/938/
URL:https://enccs.se/events/on-line-patc-openfoam-training-workshop/
LOCATION:Online
CATEGORIES:Collaboration Event,ENCCS Event
ATTACH;FMTTYPE=image/jpeg:https://media.enccs.se/2021/10/OpenFOAM-thumbnail-34.jpg
END:VEVENT
BEGIN:VEVENT
DTSTART;TZID=Europe/Stockholm:20210817T090000
DTEND;TZID=Europe/Stockholm:20210817T160000
DTSTAMP:20260430T161846
CREATED:20210604T125108Z
LAST-MODIFIED:20210823T115718Z
UID:9755-1629190800-1629216000@enccs.se
SUMMARY:ENCCS/EXCELLERAT - Training on Nek5000
DESCRIPTION:Summary\nIn this one-day training\, we will give an overview of the capabilities and features of Nek5000\, together with a hands-on session to install\, run and postprocess some comparably simple flow cases. Nek5000 is a spectral-element based solver for CFD\, and is available as an open source package. The code has become popular among researchers worldwide\, mainly because of its relatively high accuracy per grid point\, its parallel efficiency and the wide user community and available packages (e.g. statistics\, linear stability\, adjoints etc.). The development of the various methods goes back to the mid 80s\, and a number of different approaches is now implemented\, both when it comes to the integration of Navier-Stokes\, the communication kernels and efficient single-core performance. There are also advanced capabilities when it comes to meshing\, turbulence models\, moving meshes that make Nek5000 attractive even for more industrially relevant flows. The benefit of high order and efficient parallelisation is clearly a distinguishing feature in situations when high fidelity simulation data is required. \nSpeakers\nAdam Peplinski\, Niclas Jansson\, Philipp Schlatter \nPreliminary Agenda\n[ninja_tables id=”9756″] \nWorkshop Videos\nLectures\n \nHands-on Part 1\n \nHands-on Part 2\n \nPrerequisites\nThere are no formal prerequisites for the workshop. However\, it would be helpful if you are familiar with MPI\, C/Fortran compiler as well as post-processing tools such as Visit/ParaView. In order to participate in the hands-on sessions\, you will need access to a (preferably) Linux command line with a Fortran and C compiler (e.g. gcc and gfortran)\, MPI (e.g. openmpi) and possibly git and VisIt. A slide deck on Fortran 77 as used in Nek5000 can be found at https://media.enccs.se/2021/08/Frotran_crash_course.pdf. \nRegistration\nRegistration is now closed. \n 
URL:https://enccs.se/events/training-on-nek5000/
LOCATION:Online
CATEGORIES:Collaboration Event,ENCCS Event
ATTACH;FMTTYPE=image/jpeg:https://media.enccs.se/2021/06/NEK5000-ENCCS-EXCELLERAT.jpg
END:VEVENT
BEGIN:VEVENT
DTSTART;TZID=Europe/Stockholm:20210317T090000
DTEND;TZID=Europe/Stockholm:20210324T123000
DTSTAMP:20260430T161846
CREATED:20210210T154942Z
LAST-MODIFIED:20241031T070043Z
UID:8415-1615971600-1616589000@enccs.se
SUMMARY:CodeRefinery/ENCCS online workshop and hackathon on software testing
DESCRIPTION:Welcome to the first CodeRefinery/ENCCS workshop and hackathon on software testing on March 17 and 24! In this event you will become familiar with tools and best practices for testing research software and get help in adopting these in your own projects by experienced mentors. \nWho is it for?\nAre you doing any of these things?\n• You write scripts to process data.\n• You change scripts written by your colleagues.\n• You write code that is used in research by you or others.\n• You are not already extensively testing your code or scripts.\nIf yes\, then this software testing workshop and hackathon is for you! \nFormat\nThe event will be divided into two parts – a workshop on March 17 and a hackathon on March 24. In the workshop we go through the CodeRefinery lesson on automated testing and work on exercises in breakout rooms where you can use your favorite programming language. Participants will be paired up with mentors\, and in the week leading up to the hackathon the mentor can answer questions and provide guidance as participants design or implement tests in their code. During the hackathon participants split into groups and work in a sprint together with their mentor. \nSchedule\nDay 1 (March 17) – Workshop\n[ninja_tables id=”8417″] \nMarch 18-23\nParticipants work on their own projects and get advice from mentors. \nDay 2 (March 24) – Hackathon\n[ninja_tables id=”8418″] \nHow to join\nWe particularly recommend that you sign up as a team together with your colleagues! Single participants are however also welcome. It is possible to only attend the workshop on day 1 and not take part in the hackathon. For further instructions and to register for the event\, please visit https://coderefinery.github.io/2021-03-17-testing-hackathon/. \nPrerequisites\nIf you will attend the Hackathon\, you are expected to bring a code project to the event in which you want to implement testing functionality. It does not need to be a large complicated codebase\, just something you use or intend to use in your research. If it’s not your own code\, make sure that it has a license which allows you to modify it. You may also need to install some software\, and we recommend that you familiarize yourself with Git if you haven’t used it before.\nSee the event page for further details (https://coderefinery.github.io/2021-03-17-testing-hackathon/).
URL:https://enccs.se/events/coderefinery-enccs-online-workshop-and-hackathon-on-software-testing-march-17-and-24/
CATEGORIES:Collaboration Event,ENCCS Event
ATTACH;FMTTYPE=image/jpeg:https://media.enccs.se/2021/02/coderefinery-enccs.jpg
END:VEVENT
BEGIN:VEVENT
DTSTART;TZID=Europe/Stockholm:20210112T090000
DTEND;TZID=Europe/Stockholm:20210115T123000
DTSTAMP:20260430T161846
CREATED:20201201T095939Z
LAST-MODIFIED:20210118T102313Z
UID:7679-1610442000-1610713800@enccs.se
SUMMARY:BioExcel/ENCCS workshop - Advanced topics in simulations with GROMACS
DESCRIPTION:In collaboration with BioExcel\, ENCCS is offering an online workshop on advanced GROMACS simulations taught by Dr Mark Abraham\, Dr Christian Blau\, Dr Artem Zhmurov and Dr. Alessandra Villa. \nThe workshop will be all-virtual on 4 successive mornings January 12-15 2021\, 09:00-12:30.\nTopics\nJanuary 12 – Using umbrella-sampling (“pulling”) simulationsJanuary 13 – Using replica-exchange molecular dynamicsJanuary 14 – Using applied-weight histogram methods (“AWH”)January 15 – Computing trajectories efficiently on GPUs \nThe sessions will include some presentations and some hands-on live-coding-style material.\nRegistration\nRegistration is closed.\nContact person: Kjartan Thor Wikfeldt (kjartan.thor.wikfeldt@it.uu.se)\nWorkshop Notes\nYou can find anonymised workshop notes at https://hackmd.io/@enccs/gromacs-jan-2021.
URL:https://enccs.se/events/bioexcel-enccs-workshop-advanced-topics-in-simulations-with-gromacs/
LOCATION:Online
CATEGORIES:Collaboration Event,ENCCS Event,Workshop
ATTACH;FMTTYPE=image/jpeg:https://media.enccs.se/2020/12/Gromacs-icon-text-397.jpg
END:VEVENT
END:VCALENDAR