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--- biac:cluster:modules [2021/05/12 12:22]
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+++ biac:cluster:modules [2023/04/06 18:35] (current)
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@@ Line 1: / Line 1: @@
 ====== Accessing Available Software ======
-The cluster uses [[https://modules.readthedocs.io/en/latest/module.html|environment modules v3.2]] to control what software is loaded in your environment.  Certain software will be loaded by default, but there are other versions available to keep analyses consistent across a study or additional software that you may wish to load.
+The cluster uses [[https://modules.readthedocs.io/en/latest/module.html|environment modules]] to control what software is loaded in your environment.  Certain software will be loaded by default, but there are other versions available to keep analyses consistent across a study or additional software that you may wish to load.  Modules work by adding specific environmental variables needed for each package and/or adding them to your default search path.
+==== What's Loaded? ====
 - "**module list**" will show you what is currently loaded
 <code>
@@ Line 12: / Line 12: @@
 </code>
+==== What's Available? ====
 - "**module avail**" will show you what additional software or alternative are available
 <code>
@@ Line 31: / Line 31: @@
 </code>
+==== Get more info about a module ====
+To get more info about a specific module use the "module display" or "module whatis" command.
- - to load additional software use "**module load modulename(s)**"
+<code>
+[cmp12@blade01 ~]$ module display fsl
+-------------------------------------------------------------------
+/etc/modulefiles/fsl/6.0.3:
+module-whatis	 loads the fsl v6.0.3 environment
+setenv		 FSLDIR /usr/local/packages/fsl-6.0.3
+setenv		 FSLSUBMIT 0
+setenv		 FSL_DIR /usr/local/packages/fsl-6.0.3
+setenv		 FSL_BIN /usr/local/packages/fsl-6.0.3/bin
+setenv		 FSLTCLSH /usr/local/packages/fsl-6.0.3/bin/fsltclsh
+setenv		 FSLWISH /usr/local/packages/fsl-6.0.3/bin/fslwish
+setenv		 FSLOUTPUTTYPE NIFTI_GZ
+prepend-path	 PATH /usr/local/packages/fsl-6.0.3/bin
+-------------------------------------------------------------------
+[cmp12@blade01 ~]$ module whatis fsl
+fsl                  : loads the fsl v6.0.3 environment
+</code>
+==== How to modify the environment ====
+ - to load additional software use "**module load modulename(s)**"\\
+ - just calling the modulename will load the highest version number of an available software, unless there is a "default" designation in the listing
 <code>
@@ Line 43: / Line 69: @@
 </code>
-- to switch to an alternative version of a loaded software use "**module switch modulename/version**"
+If there is a package already loaded you should use the **switch** command to change versions\\
+- "**module switch modulename/version**"
 <code>
@@ Line 78: / Line 105: @@
 </code>
+==== Make it consistent ====
 You can add module calls to your submission scripts to keep the environment consistent for your jobs or you can add module calls to your ~/.bashrc initialization file to have a specific set of modules across all of your cluster jobs or interactive sessions.
@@ Line 93: / Line 123: @@
 </code>
+If there are certain packages that are not available you can always email biac-help@duke.edu to request them.  Additionally, standard linux software will not show up in the module list ( ie: cmake3, gcc ).  Usually the which or locate command is an easy way to see of they are available.
+<code>
+[cmp12@blade01 ~]$ which python3
+/usr/bin/python3
+[cmp12@blade01 ~]$ which cmake3
+~/bin/cmake3
+</code>
+====== Setting Up Experiment Specific Conda Environments ======
+[[https://conda.io/projects/conda/en/latest/user-guide/tasks/manage-environments.html|Conda]] is available via modules to setup and maintain your own specific environments if you want to use specific versions of python ( or R ) modules that are not tied to the default cluster installation.
+First, you want to unload the default python3 and load miniconda via modules to begin:
+<code>
+[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=${TMPDIR}/pkgs
+</code>
+Now, create your environment in a mounted location.  For example and Lab directory for general access from your other lab members, or in an experiment so it can be used throughout all the analysis of an entire experiment.
+<code>
+conda create -p /mnt/munin/Song/Lab/Chris/myenv python
+#activate it
+conda activate /mnt/munin/Song/Lab/Chris/myenv
+#install some of the python modules you may need
+(/mnt/munin/Song/Lab/Chris/myenv) [cmp12@blade29 ~]$ which pip3
+/mnt/munin/Song/Lab/Chris/myenv/bin/pip3
+(/mnt/munin/Song/Lab/Chris/myenv) [cmp12@blade29 ~]$ pip3 install numpy scipy nibabel ipython
+#verify
+(/mnt/munin/Song/Lab/Chris/myenv) [cmp12@blade29 ~]$ which python
+/mnt/munin/Song/Lab/Chris/myenv/bin/python
+(/mnt/munin/Song/Lab/Chris/myenv) [cmp12@blade29 ~]$ pip3 freeze
+ipython==8.11.0
+jedi==0.18.2
+matplotlib-inline==0.1.6
+nibabel==5.0.1
+numpy==1.24.2
+.......
+</code>
+Now you have a consistent environment that you can use/maintain throughout the experiment.
+To deactivate just run "conda deactivate" which will remove the environment from your path.
+To make it consistent, you can modify your ~/.bash_profile ( or ~/.bashrc ) to automatically add miniconda and activate the environment:
+<code>
+module remove python3
+module add miniconda
+conda activate /mnt/munin/Song/Lab/Chris/myenv
+</code>
+Alternatively, you can activate within submission scripts and/or make sure you are explicitly calling your own version of python within scripts:
+<code>
+ [cmp12@blade29 ~]$ //mnt/munin/Song/Lab/Chris/myenv/bin/python
+Python 3.10.4 (main, Mar 31 2022, 08:41:55) [GCC 7.5.0] on linux
+Type "help", "copyright", "credits" or "license" for more information.
+>>> import numpy
+>>> numpy.__version__
+'1.24.2'
+>>> numpy.__file__
+'//mnt/munin/Song/Lab/Chris/myenv/lib/python3.10/site-packages/numpy/__init__.py'
+</code>
+Add something else to your environment ( like R ):
+<code>
+(/mnt/munin/Song/Lab/Chris/myenv) [cmp12@blade29 ~]$ conda search r-base
+#if you don't see the version you want you can add additional channels
+conda config --add channels conda-forge
+conda config --set channel_priority strict
+#then search again
+conda search r-base
+#install the version you would like to use
+(/mnt/munin/Song/Lab/Chris/myenv) [cmp12@blade29 ~]$ conda install r-base=4.2.2
+(/mnt/munin/Song/Lab/Chris/myenv) [cmp12@blade29 ~]$ which R
+/mnt/munin/Song/Lab/Chris/myenv/bin/R
+(/mnt/munin/Song/Lab/Chris/myenv) [cmp12@blade29 ~]$ R --version
+R version 4.2.2 (2022-10-31) -- "Innocent and Trusting"
+Copyright (C) 2022 The R Foundation for Statistical Computing
+Platform: x86_64-conda-linux-gnu (64-bit)
+</code>
+====== Other Software ======
+Matlab Libraries : /usr/local/packages/MATLAB
+Premade Singularity Images : /usr/local/packages/singularity/images/

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