biac:cluster:modules
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biac:cluster:modules [2021/05/12 12:27] – cmp12 | biac:cluster:modules [2023/03/15 15:03] – [Setting Up and Maintaining Experiment Specific Conda Environments] cmp12 | ||
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====== Accessing Available Software ====== | ====== Accessing Available Software ====== | ||
- | The cluster uses [[https:// | + | The cluster uses [[https:// |
- | ==== Whats Loaded? ==== | + | ==== What' |
- " | - " | ||
< | < | ||
Line 12: | Line 12: | ||
</ | </ | ||
- | ==== Whats Available? ==== | + | ==== What' |
- " | - " | ||
< | < | ||
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dramms/ | dramms/ | ||
dtiprep/ | dtiprep/ | ||
+ | |||
+ | </ | ||
+ | |||
+ | ==== Get more info about a module ==== | ||
+ | To get more info about a specific module use the " | ||
+ | |||
+ | < | ||
+ | [cmp12@blade01 ~]$ module display fsl | ||
+ | ------------------------------------------------------------------- | ||
+ | / | ||
+ | |||
+ | module-whatis loads the fsl v6.0.3 environment | ||
+ | setenv FSLDIR / | ||
+ | setenv FSLSUBMIT 0 | ||
+ | setenv FSL_DIR / | ||
+ | setenv FSL_BIN / | ||
+ | setenv FSLTCLSH / | ||
+ | setenv FSLWISH / | ||
+ | setenv FSLOUTPUTTYPE NIFTI_GZ | ||
+ | prepend-path PATH / | ||
+ | ------------------------------------------------------------------- | ||
+ | |||
+ | |||
+ | [cmp12@blade01 ~]$ module whatis fsl | ||
+ | fsl : loads the fsl v6.0.3 environment | ||
</ | </ | ||
==== How to modify the environment ==== | ==== How to modify the environment ==== | ||
- | - to load additional software use " | + | - to load additional software use " |
- just calling the modulename will load the highest version number of an available software, unless there is a " | - just calling the modulename will load the highest version number of an available software, unless there is a " | ||
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</ | </ | ||
- | If there is a package already loaded you should use the **switch** command to change versions | + | If there is a package already loaded you should use the **switch** command to change versions\\ |
- " | - " | ||
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</ | </ | ||
+ | |||
+ | |||
+ | If there are certain packages that are not available you can always email biac-help@duke.edu to request them. Additionally, | ||
+ | |||
+ | < | ||
+ | [cmp12@blade01 ~]$ which python3 | ||
+ | / | ||
+ | |||
+ | [cmp12@blade01 ~]$ which cmake3 | ||
+ | ~/ | ||
+ | </ | ||
+ | |||
+ | |||
+ | ====== Setting Up Experiment Specific Conda Environments ====== | ||
+ | |||
+ | [[https:// | ||
+ | |||
+ | First, you want to unload the default python3 and load miniconda via modules to begin: | ||
+ | < | ||
+ | [cmp12@blade29 ~]$ module unload python3 | ||
+ | [cmp12@blade29 ~]$ module load miniconda | ||
+ | |||
+ | [cmp12@blade29 ~]$ conda --version | ||
+ | conda 22.11.1 | ||
+ | |||
+ | #set the default location to download packages to TMPDIR so you do not fill up your home directory | ||
+ | [cmp12@blade29 ~]$ export CONDA_PKGS_DIRS=${TMPDIR}/ | ||
+ | |||
+ | </ | ||
+ | |||
+ | |||
+ | Now, create your environment in a mounted location. | ||
+ | |||
+ | < | ||
+ | conda create -p / | ||
+ | |||
+ | #activate it | ||
+ | conda activate / | ||
+ | |||
+ | #install some of the python modules you may need | ||
+ | (/ | ||
+ | / | ||
+ | |||
+ | (/ | ||
+ | |||
+ | #verify | ||
+ | (/ | ||
+ | / | ||
+ | |||
+ | |||
+ | (/ | ||
+ | ipython==8.11.0 | ||
+ | jedi==0.18.2 | ||
+ | matplotlib-inline==0.1.6 | ||
+ | nibabel==5.0.1 | ||
+ | numpy==1.24.2 | ||
+ | ....... | ||
+ | </ | ||
+ | |||
+ | Now you have a consistent environment that you can use/ | ||
+ | |||
+ | To deactivate just run "conda deactivate" | ||
+ | |||
+ | To make it consistent, you can modify your ~/ | ||
+ | |||
+ | < | ||
+ | module remove python3 | ||
+ | module add miniconda | ||
+ | |||
+ | conda activate / | ||
+ | </ | ||
+ | |||
+ | |||
+ | Alternatively, | ||
+ | |||
+ | < | ||
+ | | ||
+ | Python 3.10.4 (main, Mar 31 2022, 08:41:55) [GCC 7.5.0] on linux | ||
+ | Type " | ||
+ | >>> | ||
+ | >>> | ||
+ | ' | ||
+ | >>> | ||
+ | '// | ||
+ | </ | ||
+ | |||
+ | |||
+ | |||
biac/cluster/modules.txt · Last modified: 2024/06/21 15:44 by 127.0.0.1