User contributions for Dmitri

1 March 2023

• 18:2318:23, 1 March 2023 diff hist +181 ORCA →General
• 18:2118:21, 1 March 2023 diff hist −2 ORCA →Licensing
• 18:2018:20, 1 March 2023 diff hist +979 N 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..."
• 18:1818:18, 1 March 2023 diff hist +113 ARC Software →Chemistry
• 17:5017:50, 1 March 2023 diff hist +11 How to request GPUs for batch jobs on ARC →GPUs on ARC
• 17:5017:50, 1 March 2023 diff hist −1 How to request GPUs for batch jobs on ARC No edit summary
• 17:4917:49, 1 March 2023 diff hist −3 How to request GPUs for batch jobs on ARC →Checking GPU utilization
• 17:4917:49, 1 March 2023 diff hist +2,964 N 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,..."
• 17:2617:26, 1 March 2023 diff hist +51 How-Tos No edit summary
• 17:2517:25, 1 March 2023 diff hist +16 How to request an interactive GPU on ARC No edit summary
• 17:2417:24, 1 March 2023 diff hist +81 How to request an interactive GPU on ARC No edit summary
• 17:2317:23, 1 March 2023 diff hist +101 How to request an interactive GPU on ARC No edit summary
• 17:2217:22, 1 March 2023 diff hist −13 How to request an interactive GPU on ARC No edit summary
• 17:2117:21, 1 March 2023 diff hist +31 How to request an interactive GPU on ARC No edit summary Tag: Visual edit: Switched

16 February 2023

• 21:4021:40, 16 February 2023 diff hist +262 Book online training sessions →Book your training session here

15 February 2023

• 17:0317:03, 15 February 2023 diff hist +4 How to convert a Docker container to an Apptainer container →Converting a GATK Docker image
• 17:0217:02, 15 February 2023 diff hist +3 How to convert a Docker container to an Apptainer container →Converting a GATK Docker image
• 17:0017:00, 15 February 2023 diff hist −8 How to convert a Docker container to an Apptainer container →Converting a GATK Docker image

13 February 2023

• 22:0222:02, 13 February 2023 diff hist +17 How to convert a Docker container to an Apptainer container →Converting a GATK Docker image
• 22:0022:00, 13 February 2023 diff hist +16 How to convert a Docker container to an Apptainer container →Converting a GATK Docker image
• 22:0022:00, 13 February 2023 diff hist −5 How to convert a Docker container to an Apptainer container →General
• 21:5921:59, 13 February 2023 diff hist +32 How to convert a Docker container to an Apptainer container →General
• 21:5821:58, 13 February 2023 diff hist +3 How to convert a Docker container to an Apptainer container →Converting a GATK Docker image
• 21:5821:58, 13 February 2023 diff hist +288 How to convert a Docker container to an Apptainer container →Converting a GATK Docker image
• 21:5521:55, 13 February 2023 diff hist +1,371 How to convert a Docker container to an Apptainer container →Converting a GATK Docker image
• 21:4521:45, 13 February 2023 diff hist +922 How to convert a Docker container to an Apptainer container →Converting a GATK Docker image
• 21:3721:37, 13 February 2023 diff hist +791 How to convert a Docker container to an Apptainer container →General
• 21:3021:30, 13 February 2023 diff hist −5 How to convert a Docker container to an Apptainer container →Links
• 21:3021:30, 13 February 2023 diff hist +39 N How to convert a Docker container to an Apptainer container Created page with "= General = = Links = More How-Tos"
• 21:2921:29, 13 February 2023 diff hist +69 How-Tos No edit summary

8 February 2023

• 17:1317:13, 8 February 2023 diff hist +72 How to check GPU utilization →Using Sampled Metrics

7 February 2023

• 20:5720:57, 7 February 2023 diff hist +263 Book online training sessions →Book your training session here

30 January 2023

• 16:5916:59, 30 January 2023 diff hist +29 How to use array jobs in SLURM →Array jobs
• 16:5816:58, 30 January 2023 diff hist +1 How to use array jobs in SLURM →Array jobs
• 16:5816:58, 30 January 2023 diff hist +158 How to use array jobs in SLURM →Array jobs

27 January 2023

• 16:3916:39, 27 January 2023 diff hist 0 Gaussian on ARC →Input files
• 16:3516:35, 27 January 2023 diff hist −9 Gaussian on ARC →Input files

20 January 2023

• 23:1223:12, 20 January 2023 diff hist +1 ARC Cluster Guide →Partition Hardware Specs
• 23:1223:12, 20 January 2023 diff hist +57 ARC Cluster Guide →Partition Hardware Specs

19 January 2023

• 23:0423:04, 19 January 2023 diff hist +5 Mathematica →Running Mathematica on the ARC cluster
• 22:5922:59, 19 January 2023 diff hist +1 How to find available partitions on ARC No edit summary
• 22:5822:58, 19 January 2023 diff hist +101 How to find available partitions on ARC →Example 2: gpu-v100
• 22:5722:57, 19 January 2023 diff hist +9 How to find available partitions on ARC →Example 2: gpu-v100
• 22:5622:56, 19 January 2023 diff hist +377 How to find available partitions on ARC →Example 2: gpu-v100
• 22:5022:50, 19 January 2023 diff hist +83 How to find available partitions on ARC →Example 1: cpu2019
• 22:4922:49, 19 January 2023 diff hist +445 How to find available partitions on ARC No edit summary
• 22:4322:43, 19 January 2023 diff hist +448 How to find available partitions on ARC No edit summary
• 22:3922:39, 19 January 2023 diff hist +2,366 N 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..."
• 22:3222:32, 19 January 2023 diff hist +47 How-Tos No edit summary
• 22:2422:24, 19 January 2023 diff hist +263 Book online training sessions →Past sessions