| Table of Contents |
|---|
...
Software | Version | Type | Subject | module | GPU Support |
|---|---|---|---|---|---|
| Abaqus | 2019 | Application | CFD | abaqus/2019 | |
| ADIOS2 | 2.6.0 | Dev Tools | Library | adios2/2.6.0 | |
| almaBTE | 1.3.2 | Application | Materials | almabte/1.3.2 | |
| Anaconda3 | 2019.10 (Python 3.7.4) | Application | Various | anaconda3/2019.10 | |
2020.07 (Python 3.8.6) | Application | Various | anaconda3/2020.07 | ||
| ANGSD | 0.933 | Application | Bioinformatics | angsd/0.933 | |
20.2 | Application | CFD | ansys/20.2 | ||
| 1.35.0 | Dev Tools | Utility | aria2/1.35.0 | ||
| ARPACK | 3.7.0 | Dev Tools | Library | arpack-ng/3.7.0 | |
| AutoDock | 4.2.6 | Application | Biochemistry | autodock/4.2.6 | |
| Avogadro | Visualization | Chemistry | Open OnDemand App | ||
| Axel | 2.16.1 | Dev Tools | Utility | axel/2.16.1 | |
2.5.1 | Application | Bioinformatics | bamtools/2.5.1 | ||
1.1 | Application | Bioinformatics | bartender/1.1 | ||
2.1 | Application | Bioinformatics | bayescan/2.1 | ||
| BayesTraits | 3.0.2 | Application | Bioinformatics | bayestraits/3.0.2 | |
| BerkeleyGW | 3.0.1 | Application | Materials | berkeleygw/3.0.1 | |
1.03 | Application | Bioinformatics | bgc/1.03 | ||
| BLAST | 2.9.0 | Application | Bioinformatics | blast-plus/2.9.0 | |
| BLAT | 35 | Application | Bioinformatics | blat/35 | |
| Blender | Visualization | Open Ondemand App | |||
| BOOST | 1.64.0 | Dev Tools | Library | boost/1.74.0 | |
| Bowtie | 1.3.0 | Application | Bioinformatics | bowtie/1.3.0 | |
2.4.1 | Application | Bioinformatics | bowtie2/2.4.1 | ||
0.7.17 | Application | Bioinformatics | bwa/0.7.15 | ||
| Cactus | 1.3.0 | Application | Bioinformatics | cactus/1.3.0 | |
| Canu | 1.8 | Application | Bioinformatics | canu/1.8 | |
| CCP4 | 7.0 | Application | Chemistry | ccp4/7.0 | |
3.18.4 | Dev Tools | Utilities | cmake/3.18.4 | ||
| COMSOL | 5.4 | Application | CFD | comsol/5.4 | |
| COMSOL | 6.0 | Application | CFD | comsol/6.0 | |
| CRYSTAL17 | 1.0.2 | Application | Chemistry | crystal17/1.0.2 | |
10.2.89 | Dev Tools | Programming | cuda/10.2.89 | ||
| CUDA | 11.0.2 | Dev Tools | Programming | cuda/11.0.2 | |
| CUDA | 11.1.0 | Dev Tools | Programming | cuda/11.1.0 | |
| CUDNN | 8.0.4.30 | Dev Tools | Library | cudnn/8.0.4.30-11.0-linux-x64 | |
| DDD | 3.3.12 | Dev Tools | Utilities | ddd/3.3.12 | |
| DL_POLY_4 | 4.09 | Application | Materials | dl_poly/4.09 | |
| DL_POLY_4 | 4.10 | Application | Materials | dl_poly/4.10 | |
| DMTCP | 2.6.0 | Dev Tools | Utilities | dmtcp/2.6.0 | |
3.3.8 | Dev Tools | Library | eigen/3.3.8 | ||
| ESPResSo | 4.0.2 | Application | Materials | py-espresso/4.0.2 | |
| Exonerate | 2.4.0 | Application | Bioinformatics | exonerate/2.4.0 | |
| eXpress | 1.5.2 | Application | Bioinformatics | express/1.5.2 | |
| FastJet | 3.3.3 | Application | High Energy Physics | fastjet/3.3.3 | |
| Fastqc | 0.11.7 | Application | Bioinformatics | fastqc/0.11.7 | |
0.0.14 | Application | Bioinformatics | fastx-toolkit/0.0.14 | ||
| FFTW | 3.3.8 | Dev Tools | Library | fftw/3.3.8 | |
1.1.0 | Application | Bioinformatics | freebayes/1.1.0 | ||
| Gabedit | Visualization | Chemistry | Open Ondemand App | ||
30 June 2021 R1 | Application | Chemistry | gamess/30Jun2021 | ||
Application | Math | ||||
| GATK | 4.1.0.0 | Application | Bioinformatics | gatk/4.1.0.0 | |
09 Rev D01 | Application | Chemistry | gaussian/g09 | ||
| Gaussian | 16 Rev C01 (AVX2 enabled) | Application | Chemistry | gaussian/g16 | |
Visualization | Chemistry | ||||
8.3.1 | Dev Tools | Programming | system default, no module needed | ||
9.3.0 | Dev Tools | Programming | gcc/9.3.0 | ||
| Global Arrays | 5.7 | Dev Tools | Library | globalarrays/5.7 | |
| GMAP (with GSNAP) | 2020-06-01 | Application | Bioinformatics | gmap-gsnap/2020-06-01 | |
20200822 | Dev Tools | Utilities | parallel/20200822 | ||
| GNUPlot | 5.2.8 | Visualization | Utilities | gnuplot/5.2.8 | |
| Graphviz | 2.4.4.1 | Visualization | Utilities | graphviz/2.44.1 | |
2020.4 | Application | Biochemistry | gromacs/2020.4 | (load intel/19.0.3 module) | |
| GROMACS | 2020.4 + Plumed | Application | Biochemistry | gromacs/2020.4-plumed | (load intel/19.0.3 module) |
2021.4 | Application | Biochemistry | gromacs/2021.4 | gromacs/2021.4-cuda-11.6.0 | |
| GROMACS | 2021.4 + Plumed | Application | Biochemistry | gromacs/2021.4-plumed | gromacs/2021.4-plumed-cuda-11.6.0 |
| GSL | 2.5 | Dev Tools | Library | gsl/2.5 | |
| Guppy | 3.1.5 | Application | Bioinformatics | guppy/3.1.5 | guppy/3.1.5-gpu |
| Guppy | 4.0.14 | Application | Bioinformatics | guppy/4.0.14 | guppy/4.0.14-gpu |
| Gurobi | 8.1.1 | Application | Math | gurobi/8.1.1 | |
| Hadoop | 3.2.1 | Application | Data Science | hadoop/3.2.1 | |
| Hal | 2.1 | Application | Bioinformatics | hal/2.1 | |
| HDF5 | 1.10.7 | Dev Tools | Library | hdf5/1.10.7 | |
| HISAT2 | 2.2.0 | Application | Bioinformatics | hisat2/2.2.0 | |
| Hive | 3.1.2 | Application | Data Science | hive/3.1.2 | |
| HYPRE | 2.20.0 | Dev Tools | Library | hypre/2.20.0 | |
Intel (default for gpu applications) | 19.0.3 | Dev Tools | Programming | intel/19.0.3 | |
20.0.3 | Dev Tools | Programming | intel/20.0.3 | ||
2021.3.0 | Dev Tools | Programming | intel/2021.3.0 | ||
Intel MKL | 2021.3.0 | Dev Tools | Programming | intel-mkl/2021.3.0 | |
Intel TBB | 2021.3.0 | Dev Tools | Programming | intel-tbb/2021.3.0 | |
| JELLYFISH | 2.2.7 | Application | Bioinformatics | jellyfish/2.2.7 | |
| Julia | 1.5.2 | Application | Programming | julia/1.5.2 | |
| KaHIP | 2.00 | Dev Tools | Library | kahip/2.00 | |
| kallisto | 0.46.2 | Application | Bioinformatics | kallisto/0.46.2 | |
10.3.0 | Application | Math | knitro/10.3.0 | ||
3Mar20 | Application | Materials | lammps/20200303 | (load intel/19.0.3 module) | |
29Oct20 | Application | Materials | lammps/20201029 | (load intel/19.0.3 module) | |
3Mar21 | Application | Materials | lammps/20210310 | lammps/20210310-cuda-11.6.0 | |
| Libarchive | 3.4.3 | Dev Tools | Library | libarchive/3.4.3 | |
Magma (MATH package) | 2.26 | Application | Math | magma_math/2.26 | |
| Magma (GPU Library) | 2.5.4 | Dev Tools | Library | magma/2.5.4 | |
Application | Math | ||||
| MaSuRCA | 3.4.2 | Application | Bioinformatics | masurca/3.4.2 | |
12.0 | Application | Math | mathematica/12.0 | ||
R2020a | Application | Math | matlab/R2020a | ||
R2021b | Application | Math | matlab/R2021b | ||
| METIS | 5.1.0 | Dev Tools | Library | metis/5.1.0 | |
| Miniasm | 2018-3-30 | Application | Bioinformatics | miniasm/2018-3-30 | |
| Minimap2 | 2.14 | Application | Bioinformatics | minimap2/2.14 | |
| Moose | Dev Tools | CFD | moose/devenv | ||
| MPICH | 3.3.2 | Dev Tools | Library | mpich/3.3.2 | |
| MUMPS | 5.3.3 | Dev Tools | Programming | mumps/5.3.3 | |
| MVAPICH2 | 2.3.4 | Dev Tools | Programming | mvapich2/2.3.4 | |
2.14 | Application | Biochemistry | namd/2.14 | (load intel/19.0.3 module) | |
NCCL | 2.7.8-1 | Dev Tools | Programming | nccl/2.7.8-1 | |
| Ncdu | 1.13 | Dev Tools | Utility | ncdu/1.13 | |
| NETCDF-C | 4.7.4 | Dev Tools | Library | netcdf-c/4.7.4 | |
| NETCDF-CXX | 4.2 | Dev Tools | Library | netcdf-cxx/4.2 | |
| NETCDF-Fortran | 4.5.3 | Dev Tools | Library | netcdf-fortran/4.5.3 | |
| NGMLR | 0.2.7 | Application | Bioinformatics | ngmlr/0.2.7 | |
| NGS Tools | 2019-06-24 | Application | Bioinformatics | ngstools/2019-06-24 | |
| NLOpt | 2.6.2 | Dev Tools | Library | nlopt/2.6.2 | |
| NVIDIA HPC SDK (formerly PGI compiler) | 20.9 | Dev Tools | Programming | nvhpc/20.9 | Built-in CUDA 11.0 and OpenACC Support |
7.0.2 | Application | Chemistry | nwchem/7.0.2 | ||
| Octave | 5.2.0 | Application | Math | octave/5.2.0 | |
3.0.0 | Dev Tools | Library | openbabel/3.0.0 | ||
| OpenBLAS | 0.3.10 | Dev Tools | Library | openblas/0.3.10 | |
| OpenBLAS | 0.3.12 | Dev Tools | Library | openblas/0.3.12 | |
v2006 | Application | CFD | openfoam/2006 | ||
9 | Application | CFD | openfoam-org/9 | ||
1.8.0_222-b10 | Dev Tools | Programming | openjdk/1.8.0_222-b10 | ||
| OpenJDK | 11.0.2 | Dev Tools | Programming | openjdk/11.0.2 | |
| OpenMolcas | 19.11 | Application | Chemistry | openmolcas/19.11 | |
| OpenMolcas | 22.02 | Application | Chemistry | openmolcas/22.02 | |
| OpenMPI | 4.0.5 | Dev Tools | Programming | openmpi/4.0.5 | |
3.3.0 | Application | CFD | opensees/3.3.0 | ||
| PAML | 4.9j | Application | Bioinformatics | paml/4.9j | |
| Paraview | 5.8.1 | Visualization | CFD | paraview/5.8.1 | |
| ParMETIS | 4.0.3 | Dev Tools | Library | parmetis/4.0.3 | |
| PEAR | 0.9.11 | Application | Bioinformatics | pear/0.9.11 | |
| Perl | 5.32.0 | Application | Programming | perl/5.32.0 | |
| PETSc | 3.14.1 | Dev Tools | Library | petsc/3.14.1 | |
| PHAST | 1.4 | Application | Bioinformatics | phast/1.4 | |
| PHENIX | 1.16 | Application | Chemistry | phenix/1.16 | |
| Picard | 2.20.8 | Application | Bioinformatics | picard/2.20.8 | |
| Pilon | 1.22 | Application | Bioinformatics | pilon/1.22 | |
2.6.2 | Application | Biochemistry | plumed/2.6.2 | ||
2.7.3 | Application | Biochemistry | plumed/2.7.3 | ||
| Porechop | 0.2.4 | Application | Bioinformatics | ||
| POV-RAY | 3.7.0.10 | Visualization | Utilities | povray/3.7.0.10 | |
6.1 | Visualization | Chemistry | pwgui/6.1 | ||
1.8.6.0 | Visualization | Chemistry | |||
| pyparsing | 2.4.2 | Application | Utilities | py-pyparsing/2.4.2 | |
| PYTHIA8 | 8303 | Application | High Energy Physics | pythia8/8303 | |
3.8.6 | Application | Programming | python/3.8.6 | ||
| QCacheGrind | 20.08.0 | Dev Tools | Programming | qcachegrind/20.08.0 | |
| Qhull | 2020.1 | Dev Tools | Library | qhull/2020.1 | |
| QRUpdate | 1.1.2 | Dev Tools | Library | qrupdate/1.1.2 | |
6.5 | Application | Chemistry | quantum-espresso/6.5 | ||
6.6 | Application | Chemistry | quantum-espresso/6.6 | ||
Quantum Espresso + WEST | 6.1.0 + 4.3.0 | Application | Chemistry | qe-west/6.1.0-4.3.0 | |
| R | 4.0.3 | Application | Programming | r/4.0.3 | |
| Rclone | 1.53.3 | Dev Tools | Utilities | rclone/1.53.3 | |
3.1.1 | Application | Bioinformatics | relion/3.1.1 | (load intel/19.0.3 module) | |
3.1.3 | Application | Bioinformatics | relion/3.1.3 | relion/3.1.3-cuda-11.5.1 | |
| RMCProfile | 6.7.9 | Application | Materials | rmcprofile/6.7.9 | |
| ROOT | 6.20.08 | Application | High Energy Physics | root/6.20.08 | |
| RSEM | 1.3.1 | Application | Bioinformatics | rsem/1.3.1 | |
| Salmon | 0.14.1 | Application | Bioinformatics | salmon/0.14.1 | |
| SAM Tools | 1.10 | Application | Bioinformatics | samtools/1.10 | |
| SAS | 9.4 | Application | Analytics | sas/9.4 | |
3.1.2 | Dev Tools | Utilities | scons/3.1.2 | ||
| Scotch | 6.0.10 | Dev Tools | Library | scotch/6.0.10 | |
| Screen | 4.8.0 | Dev Tools | Utilities | screen/4.8.0 | |
| ShengBTE | 1.1.1-8a63749 | Application | Materials | shengbte/1.1.1-8a63749 | |
| SimModeler | 8.0 | Application | CFD | simmodeler/8.0 | |
| Singularity | Dev Tools | Utilities | default, no module needed | ||
| SnpEff | 5.0 | Application | Bioinformatics | snpeff/5.0 | |
| Spack | releases/v0.16 branch | Dev Tools | Utilities | install your own, use /share/Apps/lusoft as upstream | |
| Spark | 3.2.0 | Application | Data Science | spark/3.2.0 | |
| Stacks | 2.55 | Application | Bioinformatics | stacks/2.55 | |
| STAR | 2.7.0e | Application | Bioinformatics | star/2.7.0e | |
| Stata | 15 | Application | Analytics | stata/15 | |
| Stata | 17 | Application | Analytics | stata/17 (serial only) | |
| Subread | 2.0.0 | Application | Bioinformatics | subread/2.0.0 | |
| SuiteSparse | 5.7.2 | Dev Tools | Library | suite-sparse/5.7.2 | |
| SuperLU | 5.2.1 | Dev Tools | Library | superlu/5.2.1 | |
| SuperLU-MT | 3.1 | Dev Tools | Library | superlu-mt/3.1 | |
| SuperLU-DIST | 6.3.1 | Dev Tools | Library | superlu-dist/6.3.1 | |
| SWIG | 4.0.2 | Application | Programming | swig/4.0.2 | |
| SYSWeld | 2020.5 | Application | CFD | sysweld/2020.5 | |
2013-12-16 | Application | Bioinformatics | tabix/2013-12-16 | ||
| TCL | 8.6.10 | Dev Tools | Library | tcl/8.6.10 | |
| Tinker | 9 | Application | Chemistry | tinker/9 | |
| TK | 8.6.10 | Dev Tools | Library | tk/8.6.10 | |
| Tmux | 3.1b | Dev Tools | Utilities | tmux/3.1b | |
0.39 | Application | Bioinformatics | trimmomatic/0.39 | ||
| Trinity | 2.12.0 | Application | Bioinformatics | trinity/2.12.0 | |
| Valgrind | 3.15.0 | Dev Tools | Programming | valgrind/3.15.0 | |
| /wiki/spaces/hpc/pages/45253153 | 5.4.4 | Application | Chemistry | vasp/5.4.4 | |
| /wiki/spaces/hpc/pages/45253153 | 5.4.4-pl2 | Application | Chemistry | vasp/5.4.4-pl2, vasp/5.4.4.pl2-neb | |
| /wiki/spaces/hpc/pages/45253153 | 6.1.2 | Application | Chemistry | vasp/6.1.2 | |
0.1.15 | Application | Bioinformatics | vcftools/0.1.15 | ||
3.4.6 | Visualization | Chemistry | vesta/3.4.6 | ||
1.9.3 | Visualization | Biochemistry | vmd/1.9.3 | ||
1.5.60 | Visualization | Chemistry | |||
| XDS | Feb2021 (license expires Mar 2022) | Visualization | Chemistry | xds/feb2021 |
...
Library | Module Name | Version | GCC 8.3.1 | GCC 9.3.0 | Intel 19.0.3 | Intel 20.0.3 | OneAPI 2021.3.0 | NVIDIA 20.9 |
|---|---|---|---|---|---|---|---|---|
| arpack-ng | 3.7.0 | Y | Y | Y | Y | Y | ||
| boost | 1.74.0 | Y | Y | Y | Y | Y | ||
| fftw | 3.3.8 | Y+MPI | Y+MPI | Y+MPI | Y+MPI | Y+MPI | ||
| GSL | gsl | 2.5 | Y | Y | Y | Y | Y | |
| hdf5 | 1.10.7 | Y +MPI | Y+MPI | Y+MPI | Y+MPI | Y+MPI | ||
| HYPRE | hypre | 2.20.0 | Y +MPI | Y+MPI | Y+MPI | Y+MPI | Y+MPI | |
| metis | 5.1.0 | Y | Y | Y | Y | Y | ||
| MPICH | mpich | 3.3.2 | Y | Y | Y | Y | Y | Y |
| mumps | 5.3.3 | Y+MPI | Y+MPI | Y+MPI | Y+MPI | |||
| mvapich2 | 2.3.4 | Y | Y | Y | Y | Y | Y | |
| netcdf-c | 4.7.4 | Y+MPI | Y+MPI | Y+MPI | Y+MPI | Y+MPI | ||
| netcdf-cxx | 4.2 | Y+MPI | Y+MPI | Y+MPI | Y+MPI | Y+MPI | ||
| NETCDF Fortran | netcdf-fortran | 4.5.3 | Y+MPI | Y+MPI | Y+MPI | Y+MPI | Y+MPI | |
| openblas | 0.3.10 | Y | Y | Y | Y | Y | ||
| OpenMPI | opempi | 4.0.5 | Y | Y | Y | Y | Y | Y |
| parmetis | 4.0.3 | Y | Y | Y | Y | Y | ||
| petsc | 3.14.1 | Y+MPI | Y+MPI | Y+MPI | Y+MPI | Y+MPI | ||
| qhull | 2020.1 | Y | Y | Y | Y | Y | ||
| qrupdate | 1.1.2 | Y | Y | Y | Y | Y | ||
| suite-sparse | 5.7.2 | Y | Y | Y | Y | Y | ||
| superlu | 5.2.1 | Y | Y | Y | Y | Y | ||
| superlu-dist | 6.3.1 | Y | Y | Y | Y | Y | ||
| superlu-mt | 3.1 | Y | Y | Y | Y | Y |