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pub:foundry [2022/02/02 18:56] jonesjosh [StarCCM+] |
pub:foundry [2023/08/22 15:15] (current) lantzer |
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Missouri S&T users can mount their web volumes and S Drives with the < | Missouri S&T users can mount their web volumes and S Drives with the < | ||
+ | |||
+ | You can un-mount your user directories with the < | ||
=== Windows === | === Windows === | ||
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===== Applications ===== | ===== Applications ===== | ||
** The applications portion of this wiki is currently a Work in progress, not all applications are currently here, nor will they ever be as the applications we support continually grows. ** | ** The applications portion of this wiki is currently a Work in progress, not all applications are currently here, nor will they ever be as the applications we support continually grows. ** | ||
+ | |||
+ | ==== Abaqus ==== | ||
+ | |||
+ | * Default Version = 2022 | ||
+ | * Other versions available: 2020 | ||
+ | |||
+ | |||
+ | === Using Abaqus === | ||
+ | |||
+ | Abaqus should not be operated on the login node at all. | ||
+ | \\ | ||
+ | Be sure you are connected to the Foundry with X forwarding enabled, and running inside an interactive job using command | ||
+ | sinteractive | ||
+ | Before you attempt to run Abaqus. Running sinteractive without any switches will give you 1 cpu for 10 minutes, if you need more time or resources you may request it. See [[pub: | ||
+ | \\ | ||
+ | Once inside an interactive job you need to load the Abaqus module. | ||
+ | module load abaqus | ||
+ | Now you may run abaqus. | ||
+ | ABQLauncher cae -mesa | ||
+ | |||
+ | |||
+ | |||
====Anaconda==== | ====Anaconda==== | ||
If you would like to install python modules via conda, you may load the anaconda module to get access to conda for this purpose. After loading the module you will need to initialize conda to work with your shell. | If you would like to install python modules via conda, you may load the anaconda module to get access to conda for this purpose. After loading the module you will need to initialize conda to work with your shell. | ||
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|/ | |/ | ||
+ | |||
+ | ====TensorFlow with GPU support==== | ||
+ | |||
+ | https:// | ||
+ | |||
+ | We have been able to get TensorFlow to work with GPU support if we install it within an anacoda environment. Other methods do not seem to work as smoothly (if they even work at all). | ||
+ | |||
+ | First use [[# | ||
+ | |||
+ | conda install tensorflow-gpu | ||
+ | |||
+ | At this point you should be able to activate that anaconda environment and run TensorFlow with GPU support. | ||
+ | |||
+ | Job Submission Information | ||
+ | |||
+ | Copy your python script to the cluster. Once copied, create your job file. | ||
+ | |||
+ | Example job file: | ||
+ | |||
+ | <file bash tensorflow-gpu.sub> | ||
+ | #!/bin/bash | ||
+ | #SBATCH --job-name=tensorflow_gpu_test | ||
+ | #SBATCH --nodes=1 | ||
+ | #SBATCH --ntasks=1 | ||
+ | #SBATCH --partition=cuda | ||
+ | #SBATCH --time=01: | ||
+ | #SBATCH --gres=gpu: | ||
+ | #SBATCH --mail-type=BEGIN | ||
+ | #SBATCH --mail-type=FAIL | ||
+ | #SBATCH --mail-type=END | ||
+ | #SBATCH --mail-user=username@mst.edu | ||
+ | |||
+ | module load anaconda/ | ||
+ | conda activate tensorflow | ||
+ | python tensorflow_script_name.py | ||
+ | </ | ||
+ | |||
+ | ==== Thermo-Calc ==== | ||
+ | |||
+ | * Default Version = 2021a | ||
+ | * Other versions available: none yet | ||
+ | |||
+ | === Accessing Thermo-Calc === | ||
+ | |||
+ | Thermo-Calc is a restricted software. If you need access please email nic-cluster-admins@mst.edu for more info. | ||
+ | |||
+ | === Using Thermo-Calc === | ||
+ | |||
+ | Thermo-Calc will not operate on the login node at all. | ||
+ | \\ | ||
+ | Be sure you are connected to the Foundry with X forwarding enabled, and running inside an interactive job using command | ||
+ | sinteractive | ||
+ | before you attempt to run Thermo-Calc. Running sinteractive without any switches will give you 1 cpu for 10 minutes, if you need more time or resources you may request it. See [[pub: | ||
+ | \\ | ||
+ | Once inside an interactive job you need to load the Thermo-Calc module. | ||
+ | module load thermo-calc | ||
+ | Now you may run thermo-calc. | ||
+ | Thermo-Calc.sh | ||
+ | |||
+ | ====Vasp==== | ||
+ | |||
+ | To use our site installation of Vasp you must first prove that you have a license to use it by emailing your vasp license confirmation to < | ||
+ | |||
+ | Once you have been granted access to using vasp you may load the vasp module < | ||
+ | |||
+ | and create a vasp job file, in the directory that your input files are, that will look similar to the one below. | ||
+ | |||
+ | <file bash vasp.sub> | ||
+ | #!/bin/bash | ||
+ | |||
+ | #SBATCH -J Vasp | ||
+ | #SBATCH -o Foundry-%j.out | ||
+ | #SBATCH --time=1: | ||
+ | #SBATCH --ntasks=8 | ||
+ | |||
+ | module load vasp | ||
+ | module load libfabric | ||
+ | |||
+ | srun vasp | ||
+ | |||
+ | </ | ||
+ | |||
+ | This example will run the standard vasp compilation on 8 cpus for 1 hour. \\ | ||
+ | |||
+ | If you need the gamma only version of vasp use < | ||
+ | |||
+ | If you need the non-colinear version of vasp use < | ||
+ | |||
+ | It might work to launch vasp with " | ||
+ | |||
+ | There are some globally available Psudopoetentials available, the module sets the environment variable $POTENDIR to the global directory. | ||