Software management

Environment Modules

PATH
CPATH
LIBRARY_PATH
LD_LIBRARY_PATH
...

Finding Modules

module avail
VSC-3> <software package>/<version>
VSC-4> <software package>/<version>
VSC-4> <software package>/<version>-<compiler>-<version>-<hash>

Loading Modules

VSC-3> module load <modulename>
VSC-4> module load <modulename>
VSC-3> module load python/3.6

You are not meeting the prereq of this module. Currently loaded modules:
None

The following modules combinations can be loaded:
(1): module load intel/18 python/3.6
(2): module load gcc/7.3 python/3.6
(3): module load gcc/6.4 python/3.6
(4): module load gcc/5.3 python/3.6
(5): module load intel/17 python/3.6
(6): module load gcc/7.2 python/3.6
VSC-3> module load intel/18 python/3.6
VSC-4> module load python/3.7.4-intel-19.0.5.281-x3acxqc

Listing Loaded Modules

module list

Removing Modules

module purge 
module rm <modulename> <modulename> ...
module unload <modulename> <modulename> ...
  • Removes a list of modules

Inspecting Modules

module show <modulename>

Inspecting Modules

VSC-3> module load intel/18 python/3.6
VSC-3> module show python/3.6
-------------------------------------------------------------------
/opt/sw/Modules/Application-Software/python/3.6:

conflict     python
setenv       VSC_PYTHON_ROOT /opt/sw/x86_64/glibc-2.17/ivybridge-ep/python/3.6.4/intel/18
prepend-path CPATH /opt/sw/x86_64/glibc-2.17/ivybridge-ep/python/3.6.4/intel/18/include
prepend-path INCLUDE /opt/sw/x86_64/glibc-2.17/ivybridge-ep/python/3.6.4/intel/18/include
setenv       VSC_PYTHON_INCLUDE /opt/sw/x86_64/glibc-2.17/ivybridge-ep/python/3.6.4/intel/18/include
prepend-path LD_LIBRARY_PATH /opt/sw/x86_64/glibc-2.17/ivybridge-ep/python/3.6.4/intel/18/lib
prepend-path LIBRARY_PATH /opt/sw/x86_64/glibc-2.17/ivybridge-ep/python/3.6.4/intel/18/lib
setenv       VSC_PYTHON_LIB /opt/sw/x86_64/glibc-2.17/ivybridge-ep/python/3.6.4/intel/18/lib
prepend-path PKG_CONFIG_PATH /opt/sw/x86_64/glibc-2.17/ivybridge-ep/python/3.6.4/intel/18/lib/pkgconfig
prepend-path MANPATH /opt/sw/x86_64/glibc-2.17/ivybridge-ep/python/3.6.4/intel/18/man
prepend-path MANPATH /opt/sw/x86_64/glibc-2.17/ivybridge-ep/python/3.6.4/intel/18/share/man
prepend-path PATH /opt/sw/x86_64/glibc-2.17/ivybridge-ep/python/3.6.4/intel/18/bin
setenv       VSC_PYTHON_BIN /opt/sw/x86_64/glibc-2.17/ivybridge-ep/python/3.6.4/intel/18/bin
prepend-path PYTHONPATH /opt/sw/x86_64/glibc-2.17/ivybridge-ep/python/3.6.4/intel/18/lib/python3.6/site-packages
setenv       VSC_PYTHON_VERSION_MAJOR 3
setenv       VSC_PYTHON_VERSION_MINOR 6
setenv       VSC_PYTHON_VERSION 3.6
setenv       VSC_PYTHON python3

Inspecting Modules

VSC-4> module show python/3.7.4-intel-19.0.5.281-x3acxqc
-------------------------------------------------------------------
/opt/sw/spack-0.12.1/share/spack/modules/linux-centos7-x86_64/python/3.7.4-intel-19.0.5.281-x3acxqc:

module-whatis   {The Python programming language.}
prepend-path    PATH /opt/sw/spack-0.12.1/opt/spack/linux-centos7-x86_64/intel-19.0.5.281/python-3.7.4-x3acxqc7gt2bpe6xuy5cfkkjbi3ent6m/bin
prepend-path    MANPATH /opt/sw/spack-0.12.1/opt/spack/linux-centos7-x86_64/intel-19.0.5.281/python-3.7.4-x3acxqc7gt2bpe6xuy5cfkkjbi3ent6m/share/man
prepend-path    LD_LIBRARY_PATH /opt/sw/spack-0.12.1/opt/spack/linux-centos7-x86_64/intel-19.0.5.281/python-3.7.4-x3acxqc7gt2bpe6xuy5cfkkjbi3ent6m/lib
prepend-path    LIBRARY_PATH /opt/sw/spack-0.12.1/opt/spack/linux-centos7-x86_64/intel-19.0.5.281/python-3.7.4-x3acxqc7gt2bpe6xuy5cfkkjbi3ent6m/lib
prepend-path    CPATH /opt/sw/spack-0.12.1/opt/spack/linux-centos7-x86_64/intel-19.0.5.281/python-3.7.4-x3acxqc7gt2bpe6xuy5cfkkjbi3ent6m/include
prepend-path    PKG_CONFIG_PATH /opt/sw/spack-0.12.1/opt/spack/linux-centos7-x86_64/intel-19.0.5.281/python-3.7.4-x3acxqc7gt2bpe6xuy5cfkkjbi3ent6m/lib/pkgconfig
prepend-path    CMAKE_PREFIX_PATH /opt/sw/spack-0.12.1/opt/spack/linux-centos7-x86_64/intel-19.0.5.281/python-3.7.4-x3acxqc7gt2bpe6xuy5cfkkjbi3ent6m/
-------------------------------------------------------------------

Excercises

VSC-3> module purge
VSC-3> module load Mathematica/11.3
VSC-3> module load Matlab/v9.8_R2020a
VSC-3> module load R/4.0.2
VSC-3> module load openfoam/7
VSC-3> module load python/3.7.4
VSC-3> module load lammps/stable.2018.12.12
VSC-3> module load matplotlib/3.0.2
VSC-3> module load boost/1.70.0
VSC-4> module purge
VSC-4> module load Mathematica/12.1.1
VSC-4> module load Matlab/v9.7.R2019b
VSC-4> module load r/4.0.3-gcc-9.1.0-vyvmnta
VSC-4> module load openfoam-org/7-intel-19.0.5.281-gmju3jd
VSC-4> module load python/3.7.4-gcc-9.1.0-jlu2hie
VSC-4> module load lammps/20190605-intel-19.0.5.281-v53g4r2
VSC-4> module load py-matplotlib/3.1.1-gcc-9.1.0-op6xzae
VSC-4> module load boost/1.70.0-gcc-9.1.0-sdjcdrd

Excercises

module avail
module show
module list
module unload
module rm

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