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Combined display of all available logs of RCSWiki. You can narrow down the view by selecting a log type, the username (case-sensitive), or the affected page (also case-sensitive).

• 20:18, 30 April 2024 Dmitri talk contribs uploaded File:Cpmd-4.3-manual.pdf
• 20:18, 30 April 2024 Dmitri talk contribs created page File:Cpmd-4.3-manual.pdf
• 20:02, 30 April 2024 Dmitri talk contribs created page CPMD (Created page with "= General = = Links = ARC Software")
• 21:18, 23 April 2024 Dmitri talk contribs created page Quantum ESPRESSO (Created page with "= General = * QE Web site: http://www.quantum-espresso.org * EPW web site: http://epw.org.uk * User's Guide: https://www.quantum-espresso.org/Doc/user_guide/user_guide.html : Installation: https://www.quantum-espresso.org/Doc/user_guide/node7.html * Input keywords: https://www.quantum-espresso.org/Doc/INPUT_PW.html * CC Docs page: https://docs.computecanada.ca/wiki/Quantum_ESPRESSO '''Quantum Espresso''' is an integrated suite of Open-Source computer codes for ele...")
• 16:25, 21 March 2024 Dmitri talk contribs created page Bioconda (Created page with "= General = * Home page: https://bioconda.github.io/index.html * List of available packages: https://bioconda.github.io/conda-package_index.html = Links = ARC Software pages")
• 15:41, 19 October 2023 Dmitri talk contribs created page How to find detailed information about past jobs on ARC (Created page with "= Background = = Using Sampled Metrics = On the OOD portal, https://ood-arc.rcs.ucalgary.ca , login using your UofC credentials (it may require your full UofC email address instead of just user name). Once you log in, * Select '''Help --> View my job metrics''', : this will open an interface to your past jobs that are available in the database. * Find the job you want to check and there may be useful graphs of CPU, memory, and GPU (if applicabl...")
• 15:12, 19 October 2023 Dmitri talk contribs created page How to check states of ARC partitions and nodes (Created page with "= Background = = Node states = = Links = How-Tos")
• 19:29, 18 October 2023 Dmitri talk contribs created page FSL on ARC (Created page with "= Background = * Official Site: https://fsl.fmrib.ox.ac.uk * Downloads and Registration: : https://fsl.fmrib.ox.ac.uk/fsldownloads_registration '''FSL''' is a comprehensive library of analysis tools for FMRI, MRI and diffusion brain imaging data. It runs on macOS (Intel and M1/M2), Linux, and Windows via the Windows Subsystem for Linux, and is very easy to install. Most of the tools can be run both from the command line and as GUIs. To quote the relevant references...")
• 18:24, 16 October 2023 Dmitri talk contribs created page AFNI on ARC (Created page with "= AFNI Apptainer Containers = The more recent versions of AFNI installed on ARC have been built as Apptainer containers based off of the official public AFNI docker release: [https://hub.docker.com/u/afni]. See also the documentation section about the container: [https://afni.nimh.nih.gov/pub/dist/doc/htmldoc/background_install/container.html] The full path to the directory with the container files is <code>/global/software/afni/containers</code>. To see what vers...")
• 21:27, 13 September 2023 Dmitri talk contribs created page ROOT (Created page with "= General = * https://root.cern.ch/ '''ROOT''' is a framework for data processing, born at CERN, at the heart of the research on high-energy physics. = Links = ARC Software pages")
• 17:11, 16 August 2023 Dmitri talk contribs created page How to run an interactive job on ARC (Created page with "= Background = Running jobs is the main and the only way to run computations on ARC. Normally, a user creates a '''job script''' and submit it to SLURM on ARC using the <code>sbatch</code> command to run a computation. The '''login node''', ARC's gateway, is only intended to do '''management work''', such as * data management, * software management, and * job management. The '''login node''' could also be used to '''software development''', if you write scripts, or i...")
• 20:29, 14 July 2023 Dmitri talk contribs created page How to find nodenames allocated by SLURM for a job (Created page with "= Background = When a distributed job that is planned to run on multiple nodes requests several compute nodes from SLURM the program that is going to perform the computations needs to know the names of the compute nodes which are allocated to the job by SLURM to use those nodes. If the program is based on the distributed MPI library then the distribution of the computational processed to the nodes is done by the MPI program launcher, <code>mpirun</code> or <code>mpiexe...")
• 17:53, 1 May 2023 Dmitri talk contribs created page How to change locale settings (Created page with "= General = = Links = How-Tos")
• 16:55, 19 April 2023 Dmitri talk contribs created page How to use ARC scratch space (Created page with "= Background = = Links = How Tos")
• 20:53, 12 April 2023 Dmitri talk contribs created page Nektar++ (Created page with "= General = * Web site: https://www.nektar.info/ * Speed Comparison among Nektar++ Solvers : https://www.nektar.info/speed-comparison-among-nektar-solvers/ '''Nektar++''' is a tensor product based finite element package designed to allow one to construct efficient classical low polynomial order h-type solvers (where h is the size of the finite element) as well as higher p-order piecewise polynomial order solvers. The framework comes with a number of solvers and als...")
• 21:05, 7 March 2023 Dmitri talk contribs created page How to understand absolute and relative paths in Linux (Created page with "= General = = Links = How-Tos")
• 18:20, 1 March 2023 Dmitri talk contribs created page ORCA (Created page with "= General = ORCA is a flexible, efficient and easy-to-use general-purpose tool for quantum chemistry with specific emphasis on spectroscopic properties of open-shell molecules. It features a wide variety of standard quantum chemical methods ranging from semiempirical methods to DFT to single- and multireference correlated ab initio methods. It can also treat environmental and relativistic effects. == Licensing == If you wish to use prebuilt ORCA executables: # You ha...")
• 17:49, 1 March 2023 Dmitri talk contribs created page How to request GPUs for batch jobs on ARC (Created page with "= GPUs on ARC = Currently, there are three partitions on ARC that have usable CUDA GPUs, '''gpu-v100''', '''gpu-a100''', and '''bigmem'''. ARC's configuration keeps changing depending on addition of new hardware and retiring of the old hardware, so you have to check available hardware on ARC before starting a new set of computations. * First, check the available partitions with GPUs on ARC following this article: : How to find available partitions on ARC. * Then,...")
• 21:30, 13 February 2023 Dmitri talk contribs created page How to convert a Docker container to an Apptainer container (Created page with "= General = = Links = More How-Tos")
• 22:39, 19 January 2023 Dmitri talk contribs created page How to find available partitions on ARC (Created page with "ARC is a relatively large and very heterogeneous cluster. It has lots of compute nodes and some of these nodes are very different in their hardware specifications and performance capabilities. On ARC, nodes with similar specifications are grouped into SLURM partitions. To use ARC effectively and to its full potential it is important that the researchers who use ARC can find available partitions and see important features of the nodes in those partitions. For this pur...")