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| [[Category:Essentials]] | | [[Category:Essentials]] |
− | {|align=right
| + | Welcome to UF Research Computing! This page is intended to help new clients getting started on HiPerGator use. |
− | |__TOC__
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− | |}
| |
− | Welcome to UF Research Computing! This page is intended to help new clients get started on HiPerGator. | |
| | | |
| Note that new users are highly encouraged to take the [[New_user_training|New User Training]] course to familiarize themselves with using a supercomputer for research, save time, and avoid many beginner mistakes. | | Note that new users are highly encouraged to take the [[New_user_training|New User Training]] course to familiarize themselves with using a supercomputer for research, save time, and avoid many beginner mistakes. |
| | | |
− | ==From Zero to HiPerGator==
| + | |
| + | =From Zero to HiPerGator= |
| ===Initial Consult=== | | ===Initial Consult=== |
− | If a face-to-face discussion about the group's needs is needed you can [https://www.rc.ufl.edu/get-support/walk-in-support/ meet one of the UF Research Computing Facilitators] face-to-face or virtually or [https://support.rc.ufl.edu/ submit a support request to start the conversation]. | + | If a face-to-face discussion about the group's needs is needed you can [https://outlook.office365.com/owa/calendar/UFITResearchComputingSupport@uflorida.onmicrosoft.com/bookings/ schedule an appointment] to [https://www.rc.ufl.edu/get-support/walk-in-support/ meet with one of the UF Research Computing Facilitators] face-to-face or virtually, or [https://support.rc.ufl.edu/ submit a support request to start the conversation]. |
| + | |
| + | |
| + | For the initial interview we recommend prospective users to be ready to answer questions such as: |
| + | |
| + | * Does the data fall under FERPA, HIPAA, or another restricted classification? |
| + | * Explain in simple words what your research is about. |
| + | * What file types will be processed initially? |
| + | ** Input files, average size of individual files, total amount of data in Gb/Tb, etc. |
| + | * What software or pipeline is needed to process the files? |
| + | Define success for you: |
| + | * What is the expected output? |
| + | ** Expected results, output file types and individual file size, amount of data produced after processing in Gb/Tb. |
| + | * Do you have any estimations on compute needs? |
| + | * Are you or will you be working with external collaborators? |
| | | |
| ===HiPerGator Accounts=== | | ===HiPerGator Accounts=== |
− | Group's sponsor has to be the first person to [https://www.rc.ufl.edu/access/account-request/ request a HiPerGator account] indicating that they are a new sponsor. In the process we will create their sponsored group. | + | ====Sponsor Username and Group Creation==== |
| + | The group's sponsor has to be the first person to [https://www.rc.ufl.edu/access/account-request/ request a HiPerGator account] indicating that they are a new sponsor. In the process we will create their sponsored group. |
| | | |
− | Afterwards, group members will be able to [https://www.rc.ufl.edu/access/account-request/ submit HiPerGator account requests] indicating their PI as the sponsor. Once approved, their linux accounts will be created.
| + | ====User Account Creation==== |
| + | Group members will be able to [https://www.rc.ufl.edu/access/account-request/ submit HiPerGator account requests] indicating their PI as the sponsor. Once approved, their HPG Linux accounts will be created. |
| + | |
| + | ====Joining a Group==== |
| + | Once their HPG username is created users must [https://support.rc.ufl.edu submit a request] to be added to a sponsor's group. Once the sponsor or an assigned manager replies to the request with approval, the user is added to the requested group. Accounts can only be added to groups with active resource allocations (see below for details). |
| + | |
| + | [https://support.rc.ufl.edu Request to be added to a group]: |
| + | * Include the following in the Summary line: "Add [username] to [groupname] group". |
| + | * Include the reason in the request's description. |
| + | * If possible, add your sponsor's email to the ticket's CC list. |
| | | |
| ===Trial Allocation=== | | ===Trial Allocation=== |
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| '''At this point a group is established on HiPerGator and can continue their computational work. See below for more details on the basic use.''' | | '''At this point a group is established on HiPerGator and can continue their computational work. See below for more details on the basic use.''' |
| | | |
− | =Introduction to Using HiPerGator= | + | =Using HiPerGator= |
− | | + | To use HiPerGator or HiPerGator-AI you must have basic understanding the following concepts: |
− | To use HiPerGator or HiPerGator-AI you need three basic parts | + | * Use the various [[HPG Interfaces]] to connect to the system. |
− | * [[HPG Interfaces | Interfaces]] | + | * See [[HPG Computation]] for an overview of running analyses on HiPerGator. |
− | You use Interfaces to interact with the system, manage data, initialize computation, and view the results. The main categories of interfaces 'Command-Line' also known as Terminal, Graphical User Interfaces, and Web Interfaces or applications for more specialized use. Some distinctions here are blurred because, for example, you can open a Terminal while using a Web Interface like [[Jupyter#JupyterHub|JupyterHub]] or [[Open OnDemand]], but mostly you use a command-line Terminal interface through SSH connections (see below).
| + | * Read [[HPG Scheduling]] for an overview of managing resources in jobs. |
− | * Data Management | + | * Learn how to manage data on the filesystems in [[Storage]] and how to transfer it in or out in [[HPG Data Management]]. |
− | To perform research analyses you need to [[Transfer_Data|upload]] and [[Storage|manage]] data. Note that misuse of the storage systems is the second main reason for account suspension after running analyses on login nodes.
| |
− | *Computation | |
− | '''Warning:''' do not run full-scale (normal) analyses on login nodes. [[Development and Testing]] is required reading. The main approach to run computational analyses is through writing [[Sample SLURM Scripts|job scripts]] and sending them to the [[SLURM_Commands|scheduler]] to run. Some interfaces like [[Open OnDemand]], [[Jupyter#JupyterHub|JupyterHub]], and [[Galaxy]] can manage job scheduling behind the scenes and may be more convenient than job submission from the command-line when appropriate.
| |
− | | |
− | For more information about on how to get started using HiPerGator visit our Wiki category [https://help.rc.ufl.edu/doc/Category:Essentials Essentials], where you can find additional instructions, training, and tutorial videos.
| |
− | | |
− | ==Interfaces==
| |
− | ===Connecting to a HiPerGator Terminal via SSH===
| |
− | To work on HiPerGator you will have to connect to hpg.rc.ufl.edu from your local computer either via SSH (terminal session) or via one of the web/application interfaces we provide such as [[Galaxy]], [[Open_OnDemand|Open OnDemand]], or [[Jupyter#JupyterHub|JupyterHub]]. The default port 22 will require password authentication whereas port 2222 can be used for ssh key authentication.
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− | | |
− | Note that the UF security requirements include the use of [[Authentication_With_MFA|Multi-Factor Authentication]] when connecting to HiPerGator. See the [[SSH Multiplexing]] help if you are connecting from Linux or MacOS to reduce the frequency of MFA use.
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− | | |
− | For any given command below, <code><username></code> should be replaced with the UFRC username (same as your GatorLink username).
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− | | |
− | ====Connecting from Windows====
| |
− | <div class="mw-collapsible mw-collapsed" style="width:70%; padding: 5px; border: 1px solid gray;">
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− | ''Expand this section to view instructions for logging in with Windows.''
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− | <div class="mw-collapsible-content" style="padding: 5px;">
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− | Since Microsoft Windows does not come with a built-in SSH client, you must download a client from the web.
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− | | |
− | For University-managed computers [http://www.chiark.greenend.org.uk/~sgtatham/putty PuTTY], [https://tabby.sh/ Tabby], and [https://gitforwindows.org/ Git Bash] are approved for 'fast track' installations.
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− | | |
− | '''PuTTY'''
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− | * [http://www.chiark.greenend.org.uk/~sgtatham/putty Download PuTTY] to your local machine and start the program.
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− | * Connect to hpg.rc.ufl.edu.
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− | * At the login prompt, enter your username (this should be the same as your GatorLink username)
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− | * Enter your password when prompted. You are now connected and ready to work!
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− | | |
− | '''Tabby'''
| |
− | * [https://github.com/Eugeny/tabby/releases/latest Download Tabby] to your local machine: tabby-version#-setup.exe or tabby-version#-portable.zip for a portable version.
| |
− | * Start the program and click Settings > Profiles > +New profile > SSH connection
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− | Name: HiPerGator
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− | Host: hpg.rc.ufl.edu
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− | Username: <username>
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− | Password: "Set password" or "Add a private key"
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− | * Click "Save"
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− | * Click on the window icon "New tab with profile" and select "HiPerGator hpg.rc.ufl.edu"
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− | * You are now connected and ready to work!
| |
− | </div>
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− | </div>
| |
− | | |
− | ====Connecting from Linux and MacOS====
| |
− | <div class="mw-collapsible mw-collapsed" style="width:70%; padding: 5px; border: 1px solid gray;">
| |
− | ''Expand to view instructions for connecting from Linux or MacOS.''
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− | <div class="mw-collapsible-content" style="padding: 5px;">
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− | You may omit GatorLinkUsername if the username on your local computer matches your GatorLink username e.g.
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− | | |
− | Open a terminal and run
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− | $ ssh <GatorLink Username>@hpg.rc.ufl.edu
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− | or
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− | $ ssh hpg.rc.ufl.edu
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− | | |
− | Enter your password when the prompt appears. You are now connected to a login node and your working directory will be <code>/home/<GatorLink></code>, ready to work!
| |
− | </div>
| |
− | </div>
| |
− | | |
− | ===Logging in via web browser===
| |
− | <div class="mw-collapsible mw-collapsed" style="width:70%; padding: 5px; border: 1px solid gray;">
| |
− | ''Expand to view instructions for Logging in via web browser.''
| |
− | <div class="mw-collapsible-content" style="padding: 5px;">
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− | * To start a GUI application go to [https://ood.rc.ufl.edu https://ood.rc.ufl.edu] and choose the application you would like to use, for example HiPerGator Desktop is a linux GUI.
| |
− | **
| |
− | ** To start a Jupyter Notebook with OOD, select the “Jupyter Notebook” application server under the “Interactive Applications” tab on the main dashboard. Specify the resources you need in the resource request and click “Launch” at the bottom of the form. Once your job starts, click “Connect to Jupyter” to start your Notebook.
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− | *
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− | * To start a Jupyter Notebook go to [http://jhub.rc.ufl.edu http://jhub.rc.ufl.edu] and select the resources you need. This JupyterHub server has preset resource options.
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− | **
| |
− | ** Jupyterhub and OutOfMemory (OOM) – if your Notebook stops responding it might be an indication of the job running out of memory. Currently this does not produce an error message. You can check your <code>/home/<user>/</code>jupyter slurm spawner logs to be sure. You will need to restart the job with additional RAM.
| |
− | *
| |
− | * To start a Galaxy instance go to [https://galaxy.rc.ufl.edu/ https://galaxy.rc.ufl.edu/]. Galaxy is a web-based framework for accessible, reproducible, and transparent biological computing.
| |
− | </div>
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− | </div>
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− | | |
− | ===Invalid Password===
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− | If you have forgotten your password or need to change it, use the following link to set a new one: [https://my.ufl.edu/ps/signon.html Change or Reset Password]
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− | | |
− | '''NOTE''': Research Computing now uses Gatorlink Authentication for all passwords. Please use the UF Gatorlink password system for all password issues.
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− | | |
− | ==Data Management==
| |
| | | |
− | ===Transferring Data===
| + | Click on the buttons below to explore. |
− | If you need to transfer datasets to or from HiPerGator and your local computer or another external location you have to pick the appropriate transfer mechanism.
| + | <div style = 'text-align: center;'> |
− | * For small or medium file transfers use sftp, scp, or rsync to login to sftp.rc.ufl.edu, hpg.rc.ufl.edu, or rsync.rc.ufl.edu.
| + | [[Image:Interface.png|frameless|upright=1| link=HPG Interfaces]] |
− | *
| + | [[Image:Computation.png|frameless|upright=1|link=HPG Computation]] |
− | * For large file transfers or transfers with many small files, use our [[Globus]] service.
| + | [[Image:Scheduling.png|frameless|upright=1|link=HPG Scheduling]] |
− | | + | [[Image:Storage.png|frameless|upright=1|link=HPG Data Management]] |
− | For more in-depth information see [[Transfer_Data|Transfer Data]].
| |
− | | |
− | {| class="wikitable"
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− | |-
| |
− | |
| |
− | ====SFTP====
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− | SFTP, or secure file transfer, works well for small to medium data transfers and is appropriate for both small and large data files.
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− | | |
− | If you would like to use a Graphical User Interface secure file transfer client we recommend:
| |
− | * [https://tabby.sh/ Tabby] for Windows, Linux, or MacOS.
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− | * [http://winscp.net/eng/index.php WinSCP] for Windows.
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− | * [http://cyberduck.io/ Cyberduck] for MacOS X and Windows.
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− | | |
− | After you have chosen and downloaded a client, configure the client to connect to <code>hpg.rc.ufl.edu</code>, specifying port number 22. Use your username and password to log in.
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− | ||
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− | | |
− | ===Samba===
| |
− | Samba service, also known as a '<code>network share</code>' or '<code>mapped drive</code>' provides you with an ability to connect to some HiPerGator filesystems as locally mapped drives (or mount points on Linux or MacOS X).Once you connected to a share this mechanism provides you with a file transfer option that allows you to use your client computer's native file manager to access and manage your files. UFRC Samba setup does not provide high performance, so try to use it sparingly and for smaller files, like job scripts or analysis reports to be copied to your local system. You must be connected to the UF network (either on-campus or through the UF VPN) to connect to Samba shares.
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− | | |
− | * [[Samba_Access|See the page on accessing Samba]] for setup information specific to your computer's operating system.
| |
− | |- | |
− | | | |
− | ====Rsync==== | |
− | If you prefer to use the command-line or to get maximum efficiency from your data transfers Rsync, which is an incremental file transfer utility that minimizes network usage, is a good choice. It does so by transmitting only the differences between local and remote files rather than transmitting complete files every time a sync is run as SFTP does. Rsync is best used for tasks like synchronizing files stored across multiple subdirectories, or updating large data sets. It works well both for small and large files. [[Rsync|See the Rsync page]] for instructions on using rsync.
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− | ||
| |
− | ====Globus==== | |
− | Globus is a high-performance mechanism for file transfer. Globus works especially well for transferring large files or data sets
| |
− | * [[Globus|See the Globus page]] for setup and configuration information.
| |
− | |}
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− | | |
− | ===Automounted Paths===
| |
− | Note: NFS-based storage on our systems are typically automounted, which means they are dynamically mounted only when users are actually accessing them. For example if you have an invested folder as /orange/smith, to access it you will have to specifically type in the full path of "/orange/smith" to be able to see the contents and access them. Directly browsing /orange will not show the smith sub-folder unless someone else is using it at that moment. Automounted folders are very common on our systems, and include /blue, /orange, /bio, /rlts, and even /home etc.
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− | | |
− | ==Editing your files==
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− | Several methods exist for editing your files on the cluster.
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− | ===Native Editors===
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− | * '''vi''' - The visual editor (vi) is the traditional Unix editor; however, it is not necessarily the most intuitive editor. [http://www.eng.hawaii.edu/Tutor/vi.html View a tutorial for using vi]
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− | * '''emacs''' - Emacs is a much heavier duty editor, but again has the problem of having commands that are non-intuitive. [http://www2.lib.uchicago.edu/~keith//tcl-course/emacs-tutorial.html View a tutorial for using emacs]
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− | * '''nano''' - Nano has a good bit of on-screen help to make it easier to use.
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− | | |
− | ===External Editors===
| |
− | You can also use your favorite file editor on your local machine, and then transfer the files to the cluster afterward. A caveat to this is that files created on Windows machines usually contain unprintable characters, which may be misinterpreted by Linux command interpreters (shells). If this happens, there is a utility called <code>dos2unix</code> that you can use to convert the text file from DOS/Windows formatting to Linux formatting.
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− | | |
− | ==Computation==
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− | ===HiPerGator Etiquette===
| |
− | * '''Only run workloads on compute nodes.''' Do not run scripts or applications on the login nodes beyond a [[Development_and_Testing#Login_Nodes|small quick test]]. Use <code>sbatch</code>, <code>srundev</code>, <code>salloc</code>, or <code>srun</code> to start a session on a compute node instead.
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− | | |
− | * '''Only run workloads from blue storage.''' This is a fast storage systems that can handle the I/O involved in research workloads. Before using <code>sbatch</code> or launching a workload interactively, make sure your working directory is a blue file path, e.g. <code>/blue/<group>/<user></code>, and not your home directory (<code>~</code> or <code>/home/<user></code>). Use <code>pwd</code> to print working directory.
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− | | |
− | * '''Home directory is only for storing user readable files.''' Your 40GB home directory is the only storage on HiPerGator for which file recovery may be possible, so keep copies of scripts, configurations, or other important files here. Versions of files '''may''' be available for the previous 7 days ([[Snapshots|see information on home directory snapshots and recovering files]]), if you need to recover a file from your home directory. If you need back ups of important data, backup services will need to be purchased.
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− | | |
− | * '''Do not install new software when using existing modules.''' This will cause errors when using our software environments, because the new installation is in your local folder. If you need to install software, create a [[Conda]] virtual environment, or open a support ticket to request RC to install the software in one of our software environments if it will be widely used.
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− | | |
− | * '''Do not run workloads from orange storage.''' Orange is intended as long-term, archival storage of data you currently do not use. It cannot handle the high-throughput requirements of high-performance computing workloads.
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− | | |
− | * '''Do not request excessive resources.''' This includes CPU, GPU and memory. Job emails include summary estimations of memory use, however, active monitoring will help you understand resource requirements. Applications often require special commands, arguments, or configurations to run in parallel. Therefore, you will likely need to do more than request multiple CPUs or GPUs for a workload to put those resources to use.
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− | | |
− | ===Using installed software=== | |
− | {{Note|Try to avoid pip install as it installs locally with can cause issues. Please look at [[Managing Python environments and Jupyter kernels]] for more details and alternatives.|warn}}
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− | | |
− | The full list of software available for use can be viewed on the [[Installed_Software|Installed Software]] page. Access to installed software is provided through [[Modules|Environment Modules]].
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− | | |
− | The following command can be used to browse the full list of available modules, along with short descriptions of the applications they make available:
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− | <pre>
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− | module spider
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− | </pre>
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− | | |
− | To load a module, use the following command:
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− | <pre>
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− | module load <module_name>
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− | </pre>
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− | | |
− | In Jupyter Notebooks, kernels are available with our most popular software stacks. If you are unable to find what you need or would like software installed, please fill out a [https://www.rc.ufl.edu/help/support-requests/ help request].
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− | | |
− | | |
− | For more information on loading modules to access software, view the page on the [[Modules_Basic_Usage|basic usage of environment modules]].
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− | | |
− | There are some useful commands and utilities in a [[UFRC_environment_module|'ufrc' environment module]] in addition to installed applications.
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− | | |
− | ===Interactive Testing or Development===
| |
− | You don't always have to use the SLURM scheduler. When all you need is a quick shell session to run a command or two, write and/or test a job script, or compile some code use [[Development_and_Testing|SLURM Dev Sessions]].
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− | | |
− | ===Running Graphical Programs=== | |
− | It is possible to run programs that use a graphical user interface (GUI) on the system. However, doing so requires an installation of and configuration of additional software on the client computer.
| |
− | | |
− | Please see the [[GUI_Programs|GUI Programs]] page for information on running graphical user interface applications at UFRC.
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− | | |
− | ===Scheduling computational jobs===
| |
− | UFRC uses the Simple Linux Utility for Resource Management, or '''SLURM''', to allocate resources and schedule jobs. Users can create SLURM job scripts to submit jobs to the system. These scripts can, and should, be modified in order to control several aspects of your job, like resource allocation, email notifications, or an output destination.
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− | | |
− | * See the [[Annotated SLURM Script]] for a walk-through of the basic components of a SLURM job script
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− | * See the [[Sample SLURM Scripts]] for several SLURM job script examples
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− | | |
− | | |
− | To submit a job script from one of the login nodes accessed via hpg.rc.ufl.edu, use the following command:
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− | <pre>
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− | $ sbatch <your_job_script>
| |
− | </pre>
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− | To check the status of submitted jobs, use the following command:
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− | <pre>
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− | $ squeue -u <username>
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− | </pre>
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− | | |
− | View [[SLURM Commands]] for more useful SLURM commands.
| |
− | | |
− | ====Managing Cores and Memory==== | |
− | See [[Account and QOS limits under SLURM]] for the main documentation on efficient management of computational resources, and an extensive explanation of QOS and SLURM account use.
| |
− | | |
− | The amount of resources within an investment is calculated in NCU (Normalized Computing Units), which correspond to 1 CPU core and about 3.5GB of memory for each NCU purchased. CPUs (cores) and RAM are allocated to jobs independently as requested by your job script.
| |
− | | |
− | Your group's investment can run out of **cores** (SLURM may show <code>QOSGrpCpuLimit</code> in the reason a job is pending) OR **memory** (SLURM may show <code>QOSGrpMemLimit</code> in the reason a job is pending) depending on current use by running jobs.
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− | The majority of HiPerGator nodes have the same ratio of about 4 GB of RAM per core, which, after accounting for the operating system and system services, leaves about 3.5 GB usable for jobs; hence the ratio of 1 core and 3.5GB RAM per NCU.
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− | | |
− | Most HiPerGator nodes have 128 CPU cores and 1000GB of RAM. The '''bigmem''' nodes go up to 4TB of available memory. See [[Available_Node_Features]] for the exact data on resources available on all types of nodes on HiPerGator.
| |
− | | |
− | You must specify both the number of cores and the amount of RAM needed in the job script for SLURM with the <code>--mem</code> (total job memory) or <code>--mem-per-cpu</code> (per-core memory) options. Otherwise, the job will be assigned the default 600mb of memory.
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− |
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− | If you need more than 128 GB of RAM, you can only run on the older nodes, which have 256 GB of RAM, or on the bigmem nodes, which have up to 1.5 TB of RAM.
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− | | |
− | ===Monitoring Your Workloads=== | |
− | You can see presently running workloads with the squeue command e.g.
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− | $ squeuemine
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− | OpenOnDemand offers a method to monitor jobs using the Jobs menu in the upper toolbar on your dashboard. This will show your current running, pending, and recently completed jobs. Select: Jobs -> Active Jobs from the upper dashboard menu.
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− | | |
− | | |
− | We provide a number of helpful commands in the [[UFRC_environment_module|UFRC module]]. The <code>ufrc</code> module is loaded by default at login, but you can also load the <code>ufrc</code> module with the following command:
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− | $ module load ufrc
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− | | |
− | | |
− | Examples of commands for SLURM or HiPerGator specific UFRC environment module
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− | <div class="mw-collapsible mw-collapsed" style="width:70%; padding: 5px; border: 1px solid gray;">
| |
− | ''Expand this section to view Examples of commands''
| |
− | <div class="mw-collapsible-content" style="padding: 5px;">
| |
− | <pre>
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− | $ slurmInfo - displays resource usage for your group
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− | $ slurmInfo -p - displays resource usage per partition
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− | $ showQos - displays your available QoS
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− | $ home_quota - displays your /home quota
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− | $ blue_quota - displays your /blue quota
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− | $ orange_quota - displays your /orange quota
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− | $ sacct - displays job id and state of your recent workloads
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− | $ nodeInfo - displays partitions by node types, showing total RAM and other features
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− | $ sinfo -p partition - displays the status of nodes in a partition
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− | $ jobhtop - displays resource usage for jobs
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− | $ jobnvtop - displays resource usage for GPU jobs
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− | $ which python - displays path to the Python install of the environment modules you have loaded
| |
− | </pre>
| |
− | | |
− | </div>
| |
| </div> | | </div> |
| | | |
− | ==Getting help==
| + | =Getting help= |
| If you are having problems using the UFRC system, try our resources at [https://help.rc.ufl.edu/doc/Category:Help Help] or let our staff know by submitting a [http://support.rc.ufl.edu support request]. | | If you are having problems using the UFRC system, try our resources at [https://help.rc.ufl.edu/doc/Category:Help Help] or let our staff know by submitting a [http://support.rc.ufl.edu support request]. |