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SUMMARY:Windows Subsystem for Linux with GPU support for molecular dynamic
 s simulations
DTSTART;VALUE=DATE-TIME:20241201T113000Z
DTEND;VALUE=DATE-TIME:20241201T130000Z
DTSTAMP;VALUE=DATE-TIME:20260906T122644Z
UID:indico-contribution-2402@events.chpc.ac.za
DESCRIPTION:Speakers: Krishna Govender (University of Johannesburg)\nWindo
 ws Subsystem for Linux (WSL) is a feature of the Windows operating system 
 that enables you to run a Linux file system\, along with Linux command-lin
 e tools and graphical user interface (GUI) applications\, directly on Wind
 ows. Unlike conventional virtual machines such as those run with Oracle Vi
 rtualbox or VMWare\, WSL requires fewer resources (CPU\, memory and storag
 e) and can access all the hardware components of your machine (including t
 he graphical processing unit (GPU)) that Windows has access to. \n\nThere 
 are several Centre for High Performance Computing (CHPC) users that still 
 make use of the compute resources for both testing and production\, especi
 ally when it comes to molecular dynamics codes such as AMBER. This is not 
 an ideal situation for testing purposes as it would mean that individuals 
 need to queue\, sometimes for long periods of time\, before discovering so
 mething might be wrong with their setup. Recently\, AMBER has become opens
 ource for non-commercial use\, which means that users no longer need to do
  their testing on the CHPC as they can test on their local laptop/desktop 
 prior to submitting simulations to the queuing system at the CHPC. \n\nIn 
 this workshop we will:\n•	Setup WSL on a Windows machine.\n•	Install a
  version of Ubuntu using WSL. \n•	Install essential libraries needed to 
 compile AMBER in Ubuntu.\n•	Install CUDA Toolkit in Ubuntu for GPU suppo
 rt. \n•	Compile the serial\, parallel and GPU versions of AMBER.\n•	Ex
 port the above WSL instance so that it can be deployed onto other laptops/
 desktops. \n\nThis workshop will be ideal for researchers\, scientists and
  students that make use of the CHPC resources for their computational chem
 istry research. \n\n**Prerequisite:** \nLaptop with Windows 10 or 11 (If y
 ou have Linux\, you will still be able to learn how to compile the softwar
 e package/s).\nPreferably 8GB RAM or more (not a must\, but things can be 
 slow with less RAM).\nNvidia GPU (not a must as you can still get the CPU 
 version of the code compiled and running).\n\n\n**Note:** We can consider 
 other applications should there be time as it is possible to install opens
 ource electronic structure codes within WSL.\n\nhttps://events.chpc.ac.za/
 event/139/contributions/2402/
LOCATION:Boardwalk Convention Centre BICC.G-B2 - B2 Tsitsikamma
URL:https://events.chpc.ac.za/event/139/contributions/2402/
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