MateriApps LIVE! is a virtual machine containing over 270 materials science applications and tools. It can be run on Windows, Mac, or Linux computers to provide a full computational materials science environment without installation. Key features include pre-installed applications for DFT, quantum chemistry, molecular dynamics, and more. It aims to help researchers easily access and use materials simulation software through a centralized portal.
OpenCL & the Future of Desktop High Performance Computing in CADDesign World
Modern desktop computers have more compute capabilities than ever before. Most of these systems include both a central processing unit (CPU) and a graphics processing unit (GPU), each consisting of multiple computing cores providing tremendous processing power. To date, harnessing the total processing power of a desktop workstation, fully utilizing both the CPU and GPU, has proven difficult for software developers. CPUs and GPUs have few similarities in both design and programming models. OpenCL is the tool that bridges the gap for software developers and enables them to fully tap into the power of both processors with a single software programming interface.
This presentation will examine the details of CPUs and GPUs, explore their differences and similarities, and highlight the computing power they can provide. We will also take a look OpenCL, what it is, what it does, and how this new computing interface will change the way software developers create software and help end users fully realize the compute power contained within today’s modern desktop computers.
OpenCL & the Future of Desktop High Performance Computing in CADDesign World
Modern desktop computers have more compute capabilities than ever before. Most of these systems include both a central processing unit (CPU) and a graphics processing unit (GPU), each consisting of multiple computing cores providing tremendous processing power. To date, harnessing the total processing power of a desktop workstation, fully utilizing both the CPU and GPU, has proven difficult for software developers. CPUs and GPUs have few similarities in both design and programming models. OpenCL is the tool that bridges the gap for software developers and enables them to fully tap into the power of both processors with a single software programming interface.
This presentation will examine the details of CPUs and GPUs, explore their differences and similarities, and highlight the computing power they can provide. We will also take a look OpenCL, what it is, what it does, and how this new computing interface will change the way software developers create software and help end users fully realize the compute power contained within today’s modern desktop computers.
Deep learning beyond the learning - Jörg Schad - Codemotion Rome 2018 Codemotion
Open Source frameworks such as TensorFlow, MXNet, or PyTorch enable anyone to model and train Deep Neural Networks. While there are many great tutorials and talks showing us the best ways for training models, there is few information on what happens after we have trained our model? How can we store, utilize, and update it? In this talk, we look at the complete Deep Learning Pipeline and looks at topics such as deployments, multi-tenancy, jupyter notebooks, model serving, and more.
Digital Security by Design: Imperas’ Interests - Simon Davidmann, Imperas Sof...KTN
KTN ran a collaborators' workshop on 26 September 2019 in London to explain more about the Digital Security by Design Challenge announced by the government.
The Digital Security by Design challenge has been recently announced by the Department for Business, Energy & Industrial Strategy (BEIS). This challenge, amounting to £70 million of government funding over 5 years, was delivered by UK Research and Innovation (UKRI) through the Industrial Strategy Challenge Fund (ISCF).
This Collaborators' Workshop provides an opportunity to hear more details of the challenge and forthcoming competitions.
A Scoping Workshop for this challenge was held on 30th May: http://ow.ly/oz6230pHlGl
Find out more about the Defence and Security Interest Group at https://ktn-uk.co.uk/interests/defence-security
Join the Defence and Security Interest Group at https://www.linkedin.com/groups/8584397 or Follow KTN_UK Defence group on Twitter https://twitter.com/KTNUK_Defence
Understand the Trade-offs Using Compilers for Java ApplicationsC4Media
Video and slides synchronized, mp3 and slide download available at URL https://bit.ly/2QCmmJ0.
Mark Stoodley examines some of the strengths and weaknesses of the different Java compilation technologies, if one was to apply them in isolation. Stoodley discusses how production JVMs are assembling a combination of these tools that work together to provide excellent performance across the large spectrum of applications written in Java and JVM based languages. Filmed at qconsf.com.
Mark Stoodley joined IBM Canada to build Java JIT compilers for production use and led the team that delivered AOT compilation in the IBM SDK for Java 6. He spent the last five years leading the effort to open source nearly 4.3 million lines of source code from the IBM J9 Java Virtual Machine to create the two open source projects Eclipse OMR and Eclipse OpenJ9, and now co-leads both projects.
TYPO3 CMS v8 in the cloud
This session will look into changes happening with TYPO3 CMS version 8 and how they relate to an improved integration with cloud infrastructure:
untangled file-handling for better support
untangled database abstraction layer to support different database backends
updated and now finely tuneable caching framework
composer changes for repeatable builds
possible pre-compilation for uid
Finally the session will also look into the practical example of deploying TYPO3 into the platform.sh cloud to kickstart the audience.
Talk given at first OmniSci user conference where I discuss cooperating with open-source communities to ensure you get useful answers quickly from your data. I get a chance to introduce OpenTeams in this talk as well and discuss how it can help companies cooperate with communities.
A performance analysis of OpenStack Cloud vs Real System on Hadoop ClustersKumari Surabhi
It introduces the performance analysis of OpenStack Cloud with the commodity computers in the big data environments. It concludes that the data storage and analysis in hadoop cluster in cloud is more flexible and easily scalable than the real system cluster. It also concludes the cluster in commodities computers are faster than the cloud clusters.
Deep learning beyond the learning - Jörg Schad - Codemotion Amsterdam 2018Codemotion
Open Source frameworks such as TensorFlow, MXNet, or PyTorch enable anyone to model and train Deep Neural Networks. While there are many great tutorials and talks showing us the best ways for training models, there is few information on what happens after we have trained our model? How can we store, utilize, and update it? In this talk, we look at the complete Deep Learning Pipeline and looks at topics such as deployments, multi-tenancy, jupyter notebooks, model serving, and more.
Deep learning beyond the learning - Jörg Schad - Codemotion Rome 2018 Codemotion
Open Source frameworks such as TensorFlow, MXNet, or PyTorch enable anyone to model and train Deep Neural Networks. While there are many great tutorials and talks showing us the best ways for training models, there is few information on what happens after we have trained our model? How can we store, utilize, and update it? In this talk, we look at the complete Deep Learning Pipeline and looks at topics such as deployments, multi-tenancy, jupyter notebooks, model serving, and more.
Digital Security by Design: Imperas’ Interests - Simon Davidmann, Imperas Sof...KTN
KTN ran a collaborators' workshop on 26 September 2019 in London to explain more about the Digital Security by Design Challenge announced by the government.
The Digital Security by Design challenge has been recently announced by the Department for Business, Energy & Industrial Strategy (BEIS). This challenge, amounting to £70 million of government funding over 5 years, was delivered by UK Research and Innovation (UKRI) through the Industrial Strategy Challenge Fund (ISCF).
This Collaborators' Workshop provides an opportunity to hear more details of the challenge and forthcoming competitions.
A Scoping Workshop for this challenge was held on 30th May: http://ow.ly/oz6230pHlGl
Find out more about the Defence and Security Interest Group at https://ktn-uk.co.uk/interests/defence-security
Join the Defence and Security Interest Group at https://www.linkedin.com/groups/8584397 or Follow KTN_UK Defence group on Twitter https://twitter.com/KTNUK_Defence
Understand the Trade-offs Using Compilers for Java ApplicationsC4Media
Video and slides synchronized, mp3 and slide download available at URL https://bit.ly/2QCmmJ0.
Mark Stoodley examines some of the strengths and weaknesses of the different Java compilation technologies, if one was to apply them in isolation. Stoodley discusses how production JVMs are assembling a combination of these tools that work together to provide excellent performance across the large spectrum of applications written in Java and JVM based languages. Filmed at qconsf.com.
Mark Stoodley joined IBM Canada to build Java JIT compilers for production use and led the team that delivered AOT compilation in the IBM SDK for Java 6. He spent the last five years leading the effort to open source nearly 4.3 million lines of source code from the IBM J9 Java Virtual Machine to create the two open source projects Eclipse OMR and Eclipse OpenJ9, and now co-leads both projects.
TYPO3 CMS v8 in the cloud
This session will look into changes happening with TYPO3 CMS version 8 and how they relate to an improved integration with cloud infrastructure:
untangled file-handling for better support
untangled database abstraction layer to support different database backends
updated and now finely tuneable caching framework
composer changes for repeatable builds
possible pre-compilation for uid
Finally the session will also look into the practical example of deploying TYPO3 into the platform.sh cloud to kickstart the audience.
Talk given at first OmniSci user conference where I discuss cooperating with open-source communities to ensure you get useful answers quickly from your data. I get a chance to introduce OpenTeams in this talk as well and discuss how it can help companies cooperate with communities.
A performance analysis of OpenStack Cloud vs Real System on Hadoop ClustersKumari Surabhi
It introduces the performance analysis of OpenStack Cloud with the commodity computers in the big data environments. It concludes that the data storage and analysis in hadoop cluster in cloud is more flexible and easily scalable than the real system cluster. It also concludes the cluster in commodities computers are faster than the cloud clusters.
Deep learning beyond the learning - Jörg Schad - Codemotion Amsterdam 2018Codemotion
Open Source frameworks such as TensorFlow, MXNet, or PyTorch enable anyone to model and train Deep Neural Networks. While there are many great tutorials and talks showing us the best ways for training models, there is few information on what happens after we have trained our model? How can we store, utilize, and update it? In this talk, we look at the complete Deep Learning Pipeline and looks at topics such as deployments, multi-tenancy, jupyter notebooks, model serving, and more.
Let's dive deeper into the world of ODC! Ricardo Alves (OutSystems) will join us to tell all about the new Data Fabric. After that, Sezen de Bruijn (OutSystems) will get into the details on how to best design a sturdy architecture within ODC.
Dev Dives: Train smarter, not harder – active learning and UiPath LLMs for do...UiPathCommunity
💥 Speed, accuracy, and scaling – discover the superpowers of GenAI in action with UiPath Document Understanding and Communications Mining™:
See how to accelerate model training and optimize model performance with active learning
Learn about the latest enhancements to out-of-the-box document processing – with little to no training required
Get an exclusive demo of the new family of UiPath LLMs – GenAI models specialized for processing different types of documents and messages
This is a hands-on session specifically designed for automation developers and AI enthusiasts seeking to enhance their knowledge in leveraging the latest intelligent document processing capabilities offered by UiPath.
Speakers:
👨🏫 Andras Palfi, Senior Product Manager, UiPath
👩🏫 Lenka Dulovicova, Product Program Manager, UiPath
Builder.ai Founder Sachin Dev Duggal's Strategic Approach to Create an Innova...Ramesh Iyer
In today's fast-changing business world, Companies that adapt and embrace new ideas often need help to keep up with the competition. However, fostering a culture of innovation takes much work. It takes vision, leadership and willingness to take risks in the right proportion. Sachin Dev Duggal, co-founder of Builder.ai, has perfected the art of this balance, creating a company culture where creativity and growth are nurtured at each stage.
UiPath Test Automation using UiPath Test Suite series, part 3DianaGray10
Welcome to UiPath Test Automation using UiPath Test Suite series part 3. In this session, we will cover desktop automation along with UI automation.
Topics covered:
UI automation Introduction,
UI automation Sample
Desktop automation flow
Pradeep Chinnala, Senior Consultant Automation Developer @WonderBotz and UiPath MVP
Deepak Rai, Automation Practice Lead, Boundaryless Group and UiPath MVP
Essentials of Automations: Optimizing FME Workflows with ParametersSafe Software
Are you looking to streamline your workflows and boost your projects’ efficiency? Do you find yourself searching for ways to add flexibility and control over your FME workflows? If so, you’re in the right place.
Join us for an insightful dive into the world of FME parameters, a critical element in optimizing workflow efficiency. This webinar marks the beginning of our three-part “Essentials of Automation” series. This first webinar is designed to equip you with the knowledge and skills to utilize parameters effectively: enhancing the flexibility, maintainability, and user control of your FME projects.
Here’s what you’ll gain:
- Essentials of FME Parameters: Understand the pivotal role of parameters, including Reader/Writer, Transformer, User, and FME Flow categories. Discover how they are the key to unlocking automation and optimization within your workflows.
- Practical Applications in FME Form: Delve into key user parameter types including choice, connections, and file URLs. Allow users to control how a workflow runs, making your workflows more reusable. Learn to import values and deliver the best user experience for your workflows while enhancing accuracy.
- Optimization Strategies in FME Flow: Explore the creation and strategic deployment of parameters in FME Flow, including the use of deployment and geometry parameters, to maximize workflow efficiency.
- Pro Tips for Success: Gain insights on parameterizing connections and leveraging new features like Conditional Visibility for clarity and simplicity.
We’ll wrap up with a glimpse into future webinars, followed by a Q&A session to address your specific questions surrounding this topic.
Don’t miss this opportunity to elevate your FME expertise and drive your projects to new heights of efficiency.
LF Energy Webinar: Electrical Grid Modelling and Simulation Through PowSyBl -...DanBrown980551
Do you want to learn how to model and simulate an electrical network from scratch in under an hour?
Then welcome to this PowSyBl workshop, hosted by Rte, the French Transmission System Operator (TSO)!
During the webinar, you will discover the PowSyBl ecosystem as well as handle and study an electrical network through an interactive Python notebook.
PowSyBl is an open source project hosted by LF Energy, which offers a comprehensive set of features for electrical grid modelling and simulation. Among other advanced features, PowSyBl provides:
- A fully editable and extendable library for grid component modelling;
- Visualization tools to display your network;
- Grid simulation tools, such as power flows, security analyses (with or without remedial actions) and sensitivity analyses;
The framework is mostly written in Java, with a Python binding so that Python developers can access PowSyBl functionalities as well.
What you will learn during the webinar:
- For beginners: discover PowSyBl's functionalities through a quick general presentation and the notebook, without needing any expert coding skills;
- For advanced developers: master the skills to efficiently apply PowSyBl functionalities to your real-world scenarios.
Key Trends Shaping the Future of Infrastructure.pdfCheryl Hung
Keynote at DIGIT West Expo, Glasgow on 29 May 2024.
Cheryl Hung, ochery.com
Sr Director, Infrastructure Ecosystem, Arm.
The key trends across hardware, cloud and open-source; exploring how these areas are likely to mature and develop over the short and long-term, and then considering how organisations can position themselves to adapt and thrive.
1. How to setup MateriApps LIVE!
2020/08/01 [for version 2.7/3.1]
MateriApps LIVE! Development Team
2. MateriApps — a Portal Site for Materials Science Simulation
• Aiming at the community formation through the promotion of application
MateriApps, 2013-2020. All rights reserved.2
• Introducing 273 materials science
applications and tools (as of 2020.8)
• Finding applications
• search tags: features, targets,
calculation methods/algorithms
• Information of applications
• brief introduction, link to official
pages, information installation,
usage, etc
• Information of hands-on sessions,
software update, etc
• Glossary of keywords, Concierge,
Reviews
• 26000+ page views / month, 9000+
unique visitors / monthsince May 2013
4. Current status in computational materials science
• From developers’ viewpoint
• New algorithms should be implemented and used. Or, it will
be forgotten ever existed.
• It cost much to write and update documents
• Development of software itself is hardly considered as
scientific achievements
• From users’ viewpoint
• What kind of applications? Who develop them?
Which application should I use for my problem?
• Manual and documentation are not well prepared.
• How to evaluate the accuracy of results?
• Goal of MateriApps project
• Forming of community in the field of computational materials
science through the promotion of open source software
MateriApps, 2013-2020. All rights reserved.4
5. What MateriApps will provide
• To find and learn application software
• catalog of application/tool on MateriApps web
• To start using application software
• MateriApps LIVE!
• To active use application software
• pre-installation to the K computer, supercomputers, etc: MateriApps Installer
• Infrastructure for easily starting materials science simulations for theoreticians,
experimentalists, researchers in companies, students, and more…
MateriApps, 2013-2020. All rights reserved.5
Flagship system (K, post-K,...)
HPC infrastructure supercomputers in Japan
Supercomputers for shared-use in research fields
Cloud computing, on-premises PC clusters
Personal workstations, PCs
InstallerHands-on Cloud
6. What is MateriApps LIVE! ?
• Live Linux bootable on virtual machine
• run on Windows, Macintosh, etc
• just boot and get ready for materials science
simulations without installation
• Version 3.1 was published in Aug. 2020
• Pre-installed applications and tools
• abinit, AkaiKKR, ALAMODE, ALPS, COQUEST,
CP2K, DCore, DSQSS, HΦ, LAMMPS, mVMC,
OpenMX, Quantum ESPRESSO, SMASH, xTAPP, etc
• OVITO, ParaView, Tapioca, VESTA, VMD, XCrysDen…
• GUI installer for CASINO, GAMESS, and VMD
• Available from MateriApps LIVE! webpage
• c.a. 8700 copies distributed since July, 2013
MateriApps, 2013-2020. All rights reserved.6
7. MateriApps LIVE! is useful for ...
• Hands-on sessions using MateriApps LIVE!
• MateriApps LIVE! Tutorials
• HΦ, xTAPP, ALPS, DCore, mVMC, ALAMODE, DDMRG, DSQSS, SALMON,
CASINO, etc.
• Practices in lectures
• Computational Physics
• Computer Experiments (UNIX + C, LaTeX, VCS)
• Used by experimentalists, researchers in private companies
• Used by researchers in the field of computer science
• Easy setup (c.a. 15min) without no troubles
• Useful for operation check, trouble shooting, user support
MateriApps, 2013-2020. All rights reserved.7
8. Materials Science Simulation by MateriApps LIVE!
• Introduction / Setup
• First-principles band calculation (OpenMX / Quantum ESPRESSO / xTAPP)
• Simulation of solution by molecular dynamics (LAMMPS / Gromacs)
• Lattice model simulation (ALPS / HΦ / mVMC)
• Quantum chemistry calculation (in preparation)
• Hands-on materials are available at https://github.com/cmsi/MateriAppsLive/wiki/
MaLiveTutorial (currently only in Japanese)
MateriApps, 2013-2020. All rights reserved.8
9. Wanna larger-scale simulations?
• For Debian/Ubuntu Linux workstations
• Debian package for MateriApps LIVE! can be used
• https://github.com/cmsi/MateriAppsLive/wiki/UsingMateriAppsInDebian
• (Can also be installed on Google Colab)
• For PC clusters, clouds, supercomputers at ISSP and IT centers, Fugaku, etc
• MateriApps Installer https://ma.issp.u-tokyo.ac.jp/app/268
• Renewal underway as a software development and sophistication project at
the University of Tokyo, 2020
MateriApps, 2013-2020. All rights reserved.9
Flagship system (K, post-K,...)
HPC infrastructure supercomputers in Japan
Supercomputers for shared-use in research fields
Cloud computing, on-premises PC clusters
Personal workstations, PCs
InstallerHands-on Cloud
10. • MateriApps LIVE! USB
• setup.pdf, setup-en.pdf
this document
• README.html, README-en.html
(copy from https://github.com/cmsi/MateriAppsLive/wiki/MateriAppsLive-ova)
• VirtualBox Installer: VirtualBox-*-OSX.dmg, VirtualBox-*-Win.exe
(available at https://www.virtualbox.org/wiki/Downloads)
• MateriApps LIVE! VitualBox Disk Image: MateriAppsLive-*-amd64.ova
(available at http://sourceforge.net/projects/materiappslive/files/)
What are included in USB Stick?
MateriApps, 2013-2020. All rights reserved.10
11. Let's get started
✓ Copy files in USB stick memory to hard disk
• copy all the files to your PC, e.g. to desktop
✓ Install VirtualBox by double-clicking the installer
• For Windows: VirutalBox-*-Win.exe
• For Macintosh: VirtualBox-*-OSX.dmg
✓ Import MateriApps LIVE!
• double-click MateriAppsLive-*.ova
• VirtualBox will start automatically and import window will open. Then press
“import” button
• VirtualBox Manager window will appear in two or three minutes
• Host (host OS): operating system (Windows, Mac OS X, etc) on which VirtualBox is
running
• Virtual machine (guest OS): operating system (= MateriApps LIVE!) running on
VirtualBox
MateriApps, 2013-2020. All rights reserved.11
12. Boot in VirtualBox
1. Choose “MateriAppsLive…”
2. Press “Start” button.
3. Wait until login window will
appear.
MateriApps, 2013-2020. All rights reserved.12
13. • Login by using
• User name (login): user
• Password: live
• Desktop (right) will appear
• start menu
• How to open a terminal window
start menu “System Tools” “LXTerminal”
• How to shutdown the virtual machine
start menu “Logout” “Shutdown”
Login to MateriApps LIVE!
MateriApps, 2013-2020. All rights reserved.13
CD-ROM button
14. Additional settings (1/2)
✓ Using Japanese keyboard
• start menu “System Tools” “Switch to Japanese Keyboard Layout”
• check if “@” key works correctly
✓ Changing resolution and scale of the virtual machine window
• Resolution (number of pixels): “800 x 600” by default
• Scale (pixel density): “200%” by default
• The resolution and scale can be changed from the “View” menu “Virtual
screen 1” of the host OS
• When using visualization software such as VESTA, OVITO, ParaView, set the
resolution to “1024 x 768” or higher
• If characters are small and difficult to see, increase the scale
MateriApps, 2013-2020. All rights reserved.14
15. Additional settings (2/2)
✓ File sharing between host OS and virtual machine
• shutdown the virtual machine, if it is running
• choose MateriAppsLive-* in VirtualBox Manager window, then “Settings”
• open “Shared Folders” tab and click “+” on the right
• click “v” on the right of “Folder Path”, choose “Other…”, and select the folder
to be shared
• check “Auto-mount” box and press “OK”. Then press “OK” again
• the folder specified above can be accessed as /media/sf_... after restarting
the virtual machine
✓ Browsing contents of ISO image file (*.iso) from the virtual machine
• click CD-ROM icon at the bottom of the virtual machine window frame, select
“Choose disk image ...", and select the ISO image file
• contents of ISO image file are accessible via /media/cdrom0
MateriApps, 2013-2020. All rights reserved.15
16. Tips
✓ Copy & Paste: How to paste strings copied from a PDF file on host OS?
• right click on terminal window “Paste”
• or press “V” with “shift” and “control” keys
• right click “Copy”, or “shift + control + C” to copy a string
✓ Completion/history/sequential search of command lines and filenames
• Hit the tab key in the terminal to complete the command name or the
filename
• Hit the “↑” key in the terminal to trace back the history of commands
• Execute the “history” command in the terminal to display the list of
commands executed
• Hit “Ctrl + r” in the terminal to search the commands executed so far (reverse
incremental search)
MateriApps, 2013-2020. All rights reserved.16
17. MateriApps planning & production
• Administration:
• Center for Computational Materials Science, Institute for Solid State Physics, University
of Tokyo (ISSP-CCMS)
• MateriApps Development Team
• Kota Ido (ISSP), Shusuke Kasamatsu (Dept. of Phys., Yamagata Univ.),
Takeo Kato (ISSP), Naoki Kawashima (ISSP), Hikaru Kouta (ISSP),
Synge Todo (Dept. of Phys., Univ. of Tokyo/ISSP), Masahito Fukuda (ISSP),
Kanako Yoshizawa (RIST)
• (contract) Yusuke Konishi and Gotai Yamada
• Cooperation:
• Research Organization for Information Science and Technology (RIST)
• Sponsor
• Elements Strategy Initiative
• Program for Promoting Researches on the Supercomputer Fugaku: DPMSD
(Development of high-performance Permanent Magnets by large-scale Simulations and
Data-driven approaches)
MateriApps, 2013-2020. All rights reserved.17