# Software Catalog

Below is a table of all custom compiled software available on the new side of cluster (gplogin2/3) via lmod.  
If compiling an app from source see [Compiler Variants](https://ps.uci.edu/greenplanet/software/compiler-variants).  
If compiling an MPI app from source see [OpenMPI Variants](https://ps.uci.edu/greenplanet/software/openmpi-variants).

This serves as a quick reference on how to load any package based on its prerequisite compiler if any.

<div class="content clearfix" id="bkmrk-software-indepedent-"><div class="content clearfix"><div class="field field-name-body field-type-text-with-summary field-label-hidden"><div class="field-items"><div class="field-item even" property="content:encoded"><table border="1" cellpadding="1" cellspacing="1"><tbody><tr><td>**Software**</td><td>**Indepedent**</td><td>**GNU prerequisite**</td><td>**Intel prerequisite**</td></tr><tr><td>[anaconda](https://www.anaconda.com/download/#linux)/2  
anaconda/3</td><td>ml anaconda/2  
ml anaconda/3</td><td> </td><td> </td></tr><tr><td>[arpack-ng](https://github.com/opencollab/arpack-ng)/3.5.0</td><td>ml arpack-ng/3.5.0</td><td> </td><td>ml intel/2018.2 arpack-ng/3.5.0</td></tr><tr><td>[avogadro](https://avogadro.cc)/1.2</td><td>ml avogadro/1.2</td><td> </td><td> </td></tr><tr><td>[castep](http://www.castep.org)/19.1</td><td> </td><td>ml intel/2018.3 openmpi/4.0.1 castep/19.1</td><td> </td></tr><tr><td>[cp2k/4.1](https://manual.cp2k.org/cp2k-4_1-branch/index.html)  
[cp2k/5.1](https://manual.cp2k.org/cp2k-5_1-branch/index.html)</td><td>ml cp2k/4.1  
ml cp2k/5.1</td><td> </td><td> </td></tr><tr><td>[dftbplus](https://github.com/dftbplus/dftbplus)/18.1</td><td> </td><td> </td><td>ml intel/2018.2 dftbplus/18.1</td></tr><tr><td>[fftw](http://www.fftw.org)/3.3.6-pl2  
fftw/3.3.8</td><td> </td><td>ml gnu/7.2.0 fftw/3.3.6-pl2  
ml gnu/8.2.0 fftw/3.3.8 (09/06)</td><td>ml intel/2018.0 fftw/3.3.6-pl2  
ml intel/2018.3 fftw/3.3.8 (09/06)

</td></tr><tr><td>[gamess](https://www.msg.chem.iastate.edu/gamess/)/2018.R3</td><td> </td><td> </td><td>ml intel/2018.3 openmpi/3.1.1 gamess/2018.R3  
ml intel/2018.3 openmpi/3.1.2 gamess/2018.R3  
ml intel/2018.3 openmpi/3.1.2-slim gamess/2018.R3</td></tr><tr><td>[gaussian](http://gaussian.com)/09  
gaussian/16</td><td>ml gaussian/09  
ml gaussian/16</td><td> </td><td> </td></tr><tr><td>[gerris](http://gfs.sourceforge.net/wiki/index.php/Main_Page)/1.3.2</td><td> </td><td>ml gnu/8.2.0 openmpi/3.1.1 gerris/1.3.2  
ml gnu/8.2.0 openmpi/3.1.2 gerris/1.3.2  
ml gnu/8.2.0 openmpi/3.1.2-slim gerris/1.3.2</td><td> </td></tr><tr><td>[gromacs](http://www.gromacs.org)/2018.3</td><td> </td><td>ml gnu/7.3.0 openmpi/3.0.1 gromacs/2018.3</td><td> </td></tr><tr><td>hdf5/1.8.21  
[hdf5](https://support.hdfgroup.org/HDF5/)/1.10.2</td><td> </td><td>ml gnu/8.2.0 hdf5/1.8.21  
ml gnu/8.2.0 openmpi/3.1.1 hdf5/1.8.21  
ml gnu/8.2.0 openmpi/3.1.2 hdf5/1.8.21  
ml gnu/7.3.0 hdf/1.10.2  
ml gnu/7.3.0 openmpi/3.0.1 hdf5/1.10.2</td><td>ml intel/2018.3 hdf5/1.8.21  
ml intel/2018.3 openmpi/3.1.1 hdf5/1.8.21  
ml intel/2018.3 openmpi/3.1.2 hdf5/1.8.21  
ml intel/2018.2 hdf/1.10.2  
ml intel/2018.2 openmpi/3.0.1 hdf5/1.10.2</td></tr><tr><td>[hwloc/1.11.10](https://www.open-mpi.org/projects/hwloc/doc/v1.11.10/)  
[hwloc/1.11.11](https://www.open-mpi.org/projects/hwloc/doc/v1.11.11/)  
[hwloc/2.0.1](https://www.open-mpi.org/projects/hwloc/doc/v2.0.1/)  
[hwloc/2.0.2](https://www.open-mpi.org/projects/hwloc/doc/v2.0.3/)  
[hwloc](http://www.open-mpi.org/projects/hwloc/doc/v2.0.3/)[/](https://www.open-mpi.org/projects/hwloc/doc/v2.0.3/)[2.0](http://www.open-mpi.org/projects/hwloc/doc/v2.0.3/)[.](https://www.open-mpi.org/projects/hwloc/doc/v2.0.3/)[3](http://www.open-mpi.org/projects/hwloc/doc/v2.0.3/)</td><td>ml hwloc/1.11.10  
ml hwloc/1.11.11  
ml howloc/1.11.12  
ml hwloc/2.0.1  
ml hwloc/2.0.2  
ml hwloc/2.0.3 (compiled w/ gnu/4.8.5)

</td><td> </td><td> </td></tr><tr><td>[idl](https://www.harrisgeospatial.com/SoftwareTechnology/IDL.aspx)/8.1</td><td>ml idl/8.1</td><td> </td><td> </td></tr><tr><td>[julia/0.6.4](https://docs.julialang.org/en/v0.6.4/)  
[julia/0.7.0](https://docs.julialang.org/en/v0.7.0/)  
[julia/1.0.0](https://docs.julialang.org/en/v1.0.0/)  
[julia/1.1.0](https://docs.julialang.org/en/v1.1.0/)</td><td>ml julia/0.6.4  
ml julia/0.7.0  
ml julia/1.0.0  
ml julia/1.1.0</td><td> </td><td> </td></tr><tr><td>[matlab](https://www.mathworks.com/company/newsroom/mathworks-announces-release-2017b-of-the-matlab-and-simulink-product-families.html?s_tid=srchtitle)/R2017b  
[matlab](https://www.mathworks.com/company/newsroom/mathworks-expands-deep-learning-capabilities-in-release-2018b.html)/R2018b</td><td>ml matlab/R2017b  
ml matlab/R2018b</td><td> </td><td> </td></tr><tr><td>[miniconda](https://conda.io/miniconda.html)/2/own  
miniconda/3/own

</td><td>ml miniconda/2/own  
ml miniconda/3/own</td><td> </td><td> </td></tr><tr><td>[molden](http://www.cmbi.ru.nl/molden/)/5.7</td><td>ml molden/5.7</td><td> </td><td> </td></tr><tr><td>[namd/2.10\_REST](https://www.ks.uiuc.edu/Research/namd/2.10/ug/)  
[namd/2.12](https://www.ks.uiuc.edu/Research/namd/2.12/ug/)  
[namd/2.13b1](https://www.ks.uiuc.edu/Research/namd/2.13b1/ug/)</td><td> </td><td>ml gnu/7.2.0 openmpi/3.0.1a namd/2.10\_REST  
ml gnu/7.2.0 openmpi/3.0.1a namd/2.12</td><td>ml intel/2018.3 openmpi/3.1.2 namd/2.13b1</td></tr><tr><td>ncl/6.3.0  
ncl/6.4.0  
[ncl](https://www.ncl.ucar.edu/Document/Manuals/)/6.5.0</td><td>ml ncl/6.3.0  
ml ncl/6.4.0  
ml ncl/6.5.0</td><td> </td><td> </td></tr><tr><td>[netcdf/4.4.1.1](https://www.unidata.ucar.edu/blogs/news/entry/netcdf-4-4-1-1)  
[netcdf/4.6.1](https://www.unidata.ucar.edu/blogs/news/entry/netcdf-4-6-1)  
[netcdf/4.7.0](https://www.unidata.ucar.edu/blogs/news/entry/netcdf-4-7-0)</td><td> </td><td>ml gnu/8.2.0 netcdf/4.4.1.1 ml gnu/8.2.0 openmpi/3.1.1 netcdf/4.4.1.1  
ml gnu/8.2.0 openmpi/3.1.2 netcdf/4.4.1.1  
ml gnu/8.2.0 openmpi/3.1.2-slim netcdf/4.4.1.1

ml gnu/8.3.0 netcdf/4.7.0  
ml gnu/8.3.0 openmpi/4.0.1 netcdf/4.7.0

</td><td>ml intel/2018.3 netcdf/4.4.1.1 ml intel/2018.3 openmpi/3.1.1 netcdf/4.4.1.1  
ml intel/2018.3 openmpi/3.1.2 netcdf/4.4.1.1  
ml intel/2018.3 openmpi/3.1.2-slim netcdf/4.4.1.1

ml intel/2018.2 netcdf/4.6.1  
ml intel/2018.2 openmpi/3.0.1 netcdf/4.6.1

ml intel/2018.3 netcdf/4.7.0  
ml intel/2018.3 openmpi/4.0.1 netcdf/4.7.0

</td></tr><tr><td>[openblas](https://www.openblas.net/)/0.2.20-openmp\_64  
openblas/0.2.20-openmp openblas/0.2.20-single\_64  
openblas/0.2.20-single

openblas/0.2.20-pthreads\_64  
openblas/0.2.20-pthreads

</td><td> </td><td>ml gnu/7.2.0 openblas/0.2.20-openmp\_64  
ml gnu/7.2.0 openblas/0.2.20-openmp ml gnu/7.2.0 openblas/0.2.20-single\_64  
ml gnu/7.2.0 openblas/0.2.20-single

ml gnu/7.2.0 openblas/0.2.20-pthreads\_64  
ml gnu/7.2.0 openblas/0.2.20-pthreads

</td><td> </td></tr><tr><td>openmpi/1.10.7  
openmpi/2.1.1  
openmpi/2.1.2  
openmpi/3.0.1a  
openmpi/3.0.1  
openmpi/3.1.1  
[openmpi](https://www.open-mpi.org/)/3.1.2  
openmpi/3.1.2-slim</td><td> </td><td>ml gnu/7.2.0 openmpi/1.10.7 ml gnu/7.2.0 openmpi/2.1.2  
ml gnu/7.2.0 openmpi/3.0.1a  
ml gnu/7.3.0 openmpi/3.0.1  
ml gnu/8.2.0 openmpi/3.1.1  
ml gnu/8.2.0 openmpi/3.1.2  
ml gnu/8.2.0 openmpi/3.1.2-slim

</td><td>ml intel/2018.0 openmpi/1.10.7  
ml intel/2017.2 openmpi/2.1.1  
ml intel/2017.2 openmpi/2.1.2  
ml intel/2018.0 openmpi/3.0.1a  
ml intel/2018.2 openmpi/3.0.1  
ml intel/2018.2 openmpi/3.1.1, ml intel/2018.3 openmpi/3.1.1  
ml intel/2018.3 openmpi/3.1.2  
ml intel/2018.3 openmpi/3.1.2-slim</td></tr><tr><td>[pio](https://github.com/NCAR/ParallelIO/releases)/2.3.1</td><td> </td><td>ml gnu/8.2.0 openmpi/3.1.1 pio/2.3.1  
ml gnu/8.2.0 openmpi/3.1.2 pio/2.3.1</td><td>ml intel/2018.2 openmpi/3.0.1 pio/2.3.1  
ml intel/2018.3 openmpi/3.1.1 pio/2.3.1  
ml intel/2018.3 openmpi/3.1.2 pio/2.3.1

</td></tr><tr><td>[pnetcdf](https://trac.mcs.anl.gov/projects/parallel-netcdf)/1.9.0  
pnetcdf/1.10.0</td><td> </td><td>ml gnu/7.3.0 openmpi/3.0.1 pnetcdf/1.9.0  
ml gnu/8.2.0 openmpi/3.1.1 pnetcdf/1.10.0  
ml gnu/8.2.0 openmpi/3.1.2 pnetcdf/1.10.0

</td><td>ml intel/2018.2 openmpi/3.0.1 pnetcdf/1.9.0  
ml intel/2018.3 openmpi/3.1.1 pnetcdf/1.10.0  
ml intel/2018.3 openmpi/3.1.2 pnetcdf/1.10.0</td></tr><tr><td>python/2.7.14  
python/3.6.4</td><td>ml python/2.7.14  
ml python/3.6.4</td><td> </td><td> </td></tr><tr><td>[qchem](http://www.q-chem.com/)/5.0</td><td> </td><td>ml gnu/7.2.0 openmpi/1.10.7 qchem/5.0</td><td> </td></tr><tr><td>[qespresso](https://www.quantum-espresso.org/)/6.3</td><td> </td><td> </td><td>ml intel/2018.3 openmpi/3.1.1 qespresso/6.3  
ml intel/2018.3 openmpi/3.1.2 qespresso/6.3</td></tr><tr><td>turbomole/7.2-official  
turbomole/7.2.1-official  
turbomole/7.3-beta  
[turbomole](http://www.turbomole.com/)/7.3-official</td><td> </td><td>ml turbomole/7.2-official  
ml turbomole/7.2.1-official  
ml turbomole/7.3-beta  
ml turbomole/7.3-official</td><td> </td></tr><tr><td>[udunits/2.2.26](https://www.unidata.ucar.edu/software/udunits/udunits-current/doc/udunits/udunits2.html)</td><td>ml udunits/2.2.26 (compiled w/ gnu/4.8.5)

</td><td> </td><td> </td></tr><tr><td>[vmd](https://www.ks.uiuc.edu/Research/vmd/)/1.9.3</td><td>ml vmd/1.9.3</td><td> </td><td> </td></tr></tbody></table>

</div></div></div></div></div>One can generate a list of all available custom installed software via `<span style="font-family: courier new,courier,monospace;">ml spider</span>`  
Then `<span style="font-family: courier new,courier,monospace;">ml spider <package></span>` to get details on all variants of a given package.  
The later is how the above table was generated!