HPC Cluster Software Resources

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Application Name Module Command Application Website/Docs Notes
Amber module add amber http://ambermd.org/Manuals.php Amber is a suite of biomolecular simulation programs
Athena module add athena https://princetonuniversity.github.io/Athena-Cversion/ Athena is a grid-based code for astrophysical magnetohydrodynamics (MHD)
Athena++ module add athena++ https://princetonuniversity.github.io/athena/ Athena++ is a complete re-write of the Athena astrophysical magnetohydrodynamics (MHD) code in C++
Blast+ module add blast+ https://www.ncbi.nlm.nih.gov/books/NBK279690/ Basic Local Alignment Search Tool
Cassandra module add cassandra https://cassandra.nd.edu/index.php/documentation Cassandra is an open source Monte Carlo package

cuda/8.0
cuda/9.2
cuda/10.0
module add cuda
module add cuda/8.0
module add cuda/9.2
module add cuda/10.0
https://docs.nvidia.com/cuda/ Default is CUDA 9.2 if using module add cuda
cuDNN module add cudnn https://docs.nvidia.com/deeplearning/sdk/cudnn-developer-guide/index.html -
ELSA Tutorial module add elsa-tutorial TBA Used with ELSA SLURM tutorial
ESPResSo module add espresso http://espressomd.org/wordpress/documentation/ Extensible Simulation Package for Research on Soft Matter
FASTX-Toolkit module add fastx http://hannonlab.cshl.edu/fastx_toolkit/commandline.html FASTQ/A short-reads pre-processing tools
FFmpeg module add ffmpeg https://ffmpeg.org/ffmpeg.html ffmpeg is a very fast video and audio converter
Garli module add garli Website no longer accessible Genetic Algorithm for Rapid Likelihood Inference
Gaussian module add gaussian http://gaussian.com/man/ Electronic structure modeling
GNUplot module add gnuplot http://www.gnuplot.info/documentation.html Portable command-line driven graphing utility
Go module add go https://golang.org/doc/ Go programming language
Gromacs module add gromacs
module add gromacs+plumed
http://manual.gromacs.org/documentation/
https://www.plumed.org/doc-master/user-doc/html/index.html
Versatile package to perform molecular dynamics
Hoomd-Blue module add hoomd-blue https://hoomd-blue.readthedocs.io/en/stable/ General purpose particle simulation toolkit
JDK module add jdk - Java. Note: OpenJDK is recommended over this version (Oracle Java) due to licensing issues. OpenJDK is installed in the OS by default so no module is needed.
Jellyfish module add jellyfish http://www.genome.umd.edu/docs/JellyfishUserGuide.pdf Fast, parallel k-mer counting for DNA
Julia module add julia https://docs.julialang.org/en/v1/ Julia programming language
LAMMPS module add lammps https://lammps.sandia.gov/doc/Manual.html Molecular dynamics simulator
Mathematica module add mathematica Example Example
Matlab module add matlab Example Example
MOPAC module add mopac http://openmopac.net/manual/ General-purpose semiempirical molecular orbital package. Primarily used from within the WebMO (http://webmo.hpc.tcnj.edu) system
MPMC module add mpmc https://github.com/mpmccode/mpmc/wiki Massively parallel monte carlo
MrBayes module add mrbayes http://nbisweden.github.io/MrBayes/manual.html Program for Bayesian inference and model choice across a wide range of phylogenetic and evolutionary models
NetPBM module add netpbm http://netpbm.sourceforge.net/doc/ Toolkit for manipulation of graphic images, including conversion of images between a variety of different formats
NWChem CPU - module add nwchem
GPU - module add nwchem-cuda
https://github.com/nwchemgit/nwchem/wiki Open source high-performance computational chemistry
Omnia module add omnia https://github.com/omnia-md/omnia-md High performance, high usability toolkits for predictive biomolecular simulation
ParaView module add paraview https://www.paraview.org/documentation/ Open-source, multi-platform data analysis and visualization application. GUI accessed via Open OnDemand (under Interactive Apps)
pNetCDF module add pnetcdf https://parallel-netcdf.github.io/wiki/Documentation.html High-performance parallel I/O library for accessing the classic

Unidata's NetCDF files, specifically the CDF 1, 2, and 5 formats

PRINSEQ module add prinseq http://prinseq.sourceforge.net/manual.html Filter, reformat, or trim your genomic and metagenomic sequence data
Python module add python https://www.python.org/doc/ Programming language that lets you work more quickly and integrate your systems more effectively
R module add R https://cran.r-project.org/manuals.html Free software environment for statistical computing and graphics
RStudio Server module add rstudio_singularity https://resources.rstudio.com/ Integrated development environment (IDE) for R. Web front-end accessed via Open OnDemand (under Interactive Apps)
SageMath module add sagemath Example Example
SAS module add sas Example Example
SOAPDenovo2 module add soapdenovo2 Example Example
Sondovac module add sondovac Example Example
SOP module add sop-gpu Example Example
Spades module add spades Example Example
Swift module add swift Example Example
Transcriptomics module add transcriptomics Example Example
Trimmomatic module add trimmomatic Example Example
Trinity module add trinity Example Example
VisIt module add visit Example Example
VMD module add vmd Example Example