ICME 2022 Workshop Instructions

Key Information

Workshop Date: Wednesday, April 27, 2022
Time (New Earlier Time): 1:30 p.m.–4:30 p.m. PDT
Location: Regency Ballroom ABC, Hyatt Regency Lake Tahoe

All ICME 2022 in-person registrants must follow the instructions below to download and install the Virtual Machine Image (approximately 10 GB) before you attend the workshop. It is strongly recommended that you download and install the file before traveling to the congress to avoid problems, such as data limits while traveling.

The ICME 2022 Workshop will offer parallel tutorial sessions on open-source computational tools with direct utility for ICME on the afternoon of Wednesday, April 27. Session I will discuss PRISMS-Plasticity (Crystal Plasticity Finite Element) and PRISMS-PF (Phase Field). Session II will cover Introduction to Bayesian Optimization and BAREFOOT (Bayesian framework for materials optimization including data fusion). Session III will focus on LAMMPS (Molecular Dynamics). These tutorial sessions are included in the ICME 2022 in-person registration fee and occur within the standard congress schedule. No additional cost or extended travel is required to participate.

Beginners Tutorial

Preparation

To avoid spending time on compilation and installation of the software for the ICME Workshop tutorials, a preconfigured Virtual Box Linux virtual machine image is being provided for workshop attendees.

Step 1: Install Virtual Box

You can download Virtual Box for your operating system from the Virtual Box Download Site.

For Windows and MacOS, launch the downloaded installer and follow the installation instructions. You might have to accept the installation of additional drivers and reboot your system afterwards.

For several Linux distributions, Virtual Box is also directly available for installation through the distribution's package manager tool (e.g. apt, yum, or dnf).

NOTE: VirtualBox requires Virtualization to be enabled on your computer. If you get an error about missing CPU support (VT-x) go to your computer's BIOS and try to enable Virtualization (VT-x or AMD-V) support. How to enable Virtualization on PCs.

Step 2: Download the ICME 2022 Workshop Tutorials Virtual Box Image

This virtual machine image appliance file provides a pre-configured Fedora 34 Workstation Linux system which runs within the Virtual Box software on either a Windows, Mac, or Linux machine. It also has the software packages built and pre-installed which will be used in all the tutorials, so that the tutorial sessions can start right away. Most of the tutorial materials and some related documentation are also pre-installed and configured.

Download Workshop Tutorial

Step 3: Launch VirtualBox and Import the VM Image

Launch VirtualBox and go to the “File” > “Import Appliance option and import the file.

Once setting changes have been made, click on "Import". When the process is complete, you should see this next screen with a new ICME_Workshop entry.

Your tutorial VM is ready to be used and initially powered off. You can think of the VM as a computer inside of your computer, that you can turn on and off, and even pause at any point in time.

Step 4: Start the VM Image

To power on the VM, select the "ICME_Workshop" entry in VirtualBox and press the green "Start" button.

This will open a new window, which represents the "screen" of your VM.

The VM will then boot the Linux system and automatically log in as "icme" user.

user: icme

password: workshop2021

This VirtualBox image provides you with a Linux environment which is where the tutorial exercises will be conducted. In the bottom toolbar you will find the Start menu and some application launchers.

Go ahead and launch a terminal. This will be the starting point for most sessions.

Useful Hints:

• Change the font size of your terminal by using CTRL+ or CTRL-
• (Windows/Apple Command ⌘)+Arrow keys allows you to rearrange windows
• On most Linux systems if you select text, you can paste using the Middle-Mouse button.
• To view or edit a file in a terminal window, you can use vi, vim, or emacs. Within emacs, you can grow/shrink the font size using the C-x, C-+, or C-x C-- commands, where C-x means hold the control key down and type x.

For the beginners tutorial, you can find the necessary files in the “tutorial” folder in the user's home directory.

For people not familiar with Linux, it will be beneficial to look up some Linux tutorials on the web and practice a little bit working on Linux (if you want to use LAMMPS on any HPC facility in the future, you will have to learn it anyway). E.g., there are tutorials in multiple languages on Linux Journey like Command Line, Text-Fu, and Advanced Text-Fu.

Step 5: See the README Files for Individual Tutorials

Two of the tutorials have README files for you to look at before the tutorial starts. For LAMMPS, it is the tutorial/lammps/README.txt file, which has instructions for trying out the various tools that will be used during the tutorial. For PRISM-PF, it is the tutorial/PRISM-PF/README.md file.

The following video demonstrates what you should try out in advance for the LAMMPS tutorial, as explained in the tutorial/lammps/README.txt:

Step 6: Shutting down the VM

Once you're doing using the VM, you can shut it down by going to the "Start"-menu, selecting the power off button, and confirming "Shut Down".

The alternative is to close the VM window (press the X on the window border) and confirm that you want to shutdown the VM by sending the shutoff signal.

Note that all changes to the VM will be stored, so the next time you start it, the system will still have all your changes.