User contributions for Dmitri

6 March 2023

• 17:2917:29, 6 March 2023 diff hist +5 How to transfer data →Use Globus Web Application to Share Files
• 15:4715:47, 6 March 2023 diff hist +263 Book online training sessions →Book your training session here

1 March 2023

• 18:3518:35, 1 March 2023 diff hist −20 ORCA →ORCA on ARC
• 18:3518:35, 1 March 2023 diff hist +547 ORCA →General
• 18:2818:28, 1 March 2023 diff hist +69 ARC Software →Chemistry
• 18:2718:27, 1 March 2023 diff hist +2 ARC Software →Chemistry
• 18:2718:27, 1 March 2023 diff hist −1 ARC Software →Chemistry
• 18:2618:26, 1 March 2023 diff hist +275 ORCA →General
• 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