.. _ref-centralsoftware: Software Centrally Managed ========================== On Thorny Flat there packages centrally managed from three different sources. Packages provided via Environment Modules, Software included in Conda Environments and Software built inside Singularity Containers. The Software below is a catalog of the software offered on Thorny Flat on June 6, 2020. New packages are added over time and some old packages are deprecated and eventually removed. Software via Environment Modules -------------------------------- +---------------------------------------+------------------+-----------------------------------------------+--------------------------------------+ | Software Name | TIER 0 | Description | Modules | +=======================================+==================+===============================================+======================================+ | HPL | Benchmarks | High Performance Linpack Benchmarks | | benchmarks/hpl/2.3_gcc48 | | | | | | benchmarks/hpl/2.3_gcc82 | +---------------------------------------+------------------+-----------------------------------------------+--------------------------------------+ | CMake | Developers | Build System | | dev/cmake/3.15.2 | | | | | | dev/cmake/3.15.4 | +---------------------------------------+------------------+-----------------------------------------------+--------------------------------------+ | Doxygen | Developers | Create documentation from Sources | | dev/doxygen/1.8.15 | +---------------------------------------+------------------+-----------------------------------------------+--------------------------------------+ | | GNU | Languages | | Compilers for C, C++, | | lang/gcc/7.5.0 | | | Compiler | | | Fortran and more | | lang/gcc/8.2.0 | | | Collection | | | | lang/gcc/8.4.0 | | | | | | lang/gcc/9.3.0 | +---------------------------------------+------------------+-----------------------------------------------+--------------------------------------+ | Go Language | Languages | Go Programming Language | | lang/go/1.12.7 | +---------------------------------------+------------------+-----------------------------------------------+--------------------------------------+ | Intel Compiler Suite | Languages | | Intel Compilers Sute: C, C++ and Fortran | | lang/intel/2018 | | | | | Includes the Math Kernel Library (MKL) | | lang/intel/2018_u4 | | | | | and other Intel optimized Libraries | | lang/intel/2019 | | | | | | lang/intel/2019_u5 | +---------------------------------------+------------------+-----------------------------------------------+--------------------------------------+ | Java Developers Kit | Languages | Software to compile and run Java programs | | lang/java/jdk1.8.0_201 | +---------------------------------------+------------------+-----------------------------------------------+--------------------------------------+ | Julia | Languages | | Fast Interpreted Language for | | lang/julia/1.1.1 | | | | | Scientific Computing | | lang/julia/1.2.0 | +---------------------------------------+------------------+-----------------------------------------------+--------------------------------------+ | PGI Compiler Suite | Languages | PGI Compilers for C, C++ and Fortran | | lang/pgi/19.4 | +---------------------------------------+------------------+-----------------------------------------------+--------------------------------------+ | Python | Languages | | Python Programming Language | | lang/python/cpython_3.6.9_gcc82 | | | | | CPython is the reference C | | lang/python/cpython_3.7.2_gcc82 | | | | | implementation | | lang/python/cpython_3.7.4_gcc82 | | | | | Intel Python offer several optimizations | | lang/python/intelpython_2.7.14 | | | | | for Numerical operations via MKL | | lang/python/intelpython_2.7.16 | | | | | | | lang/python/intelpython_3.6.3 | | | | | | | lang/python/intelpython_3.6.9 | | | | | Pypy is an optimized implementation | | lang/python/pypy2.7-7.1.1-portable | | | | | of Python | | lang/python/pypy3.6-7.1.1-portable | | | | | | lang/python/pypy3.6-v7.1.1-thorny | +---------------------------------------+------------------+-----------------------------------------------+--------------------------------------+ | R Language | Languages | R is a Language used for Statistics | | lang/r/3.5.2 | | | | | | lang/r/3.6.2 | +---------------------------------------+------------------+-----------------------------------------------+--------------------------------------+ | AtomPAW | Libraries | | Projected Augmented Wave code | | libs/atompaw/4.1.0.5_gcc48 | | | | | Used by several DFT codes | | libs/atompaw/4.1.0.5_intel18 | +---------------------------------------+------------------+-----------------------------------------------+--------------------------------------+ | Boost | Libraries | Portable C++ source Libraries | | libs/boost/1.70_gcc48_ompi216 | | | | | | libs/boost/1.70_gcc82_ompi216 | | | | | | libs/boost/1.70_intel18 | +---------------------------------------+------------------+-----------------------------------------------+--------------------------------------+ | CFITSIO | Libraries | FITS subroutine Library | | libs/cfitsio/3.47_gcc82 | +---------------------------------------+------------------+-----------------------------------------------+--------------------------------------+ | FFTW | Libraries | Fast Fourier Transforms | | libs/fftw/3.3.8_gcc48 | | | | | | libs/fftw/3.3.8_gcc75 | | | | | | libs/fftw/3.3.8_gcc75_ompi3.1.6 | | | | | | libs/fftw/3.3.8_gcc82 | | | | | | libs/fftw/3.3.8_gcc82b | | | | | | libs/fftw/3.3.8_gcc82_ompi4 | | | | | | libs/fftw/3.3.8_gcc84 | | | | | | libs/fftw/3.3.8_gcc84_ompi3.1.6 | | | | | | libs/fftw/3.3.8_gcc93 | | | | | | libs/fftw/3.3.8_gcc93_ompi3.1.6 | | | | | | libs/fftw/3.3.8_intel18 | +---------------------------------------+------------------+-----------------------------------------------+--------------------------------------+ | HDF5 | Libraries | | Open Source File Format for large | | libs/hdf5/1.10.5_gcc48 | | | | | and complex Data | | libs/hdf5/1.10.5_gcc48_ompi31 | | | | | | libs/hdf5/1.10.5_gcc82 | | | | | | libs/hdf5/1.10.5_gcc82_ompi31 | | | | | | libs/hdf5/1.10.5_intel18 | | | | | | libs/hdf5/1.10.5_intel18_impi18 | | | | | | libs/hdf5/1.10.5_intel19 | | | | | | libs/hdf5/1.10.5_intel19_impi19 | | | | | | libs/hdf5/1.10.6_gcc82_ompi31 | | | | | | libs/hdf5/1.12.0_gcc75 | | | | | | libs/hdf5/1.12.0_gcc75_ompi31 | | | | | | libs/hdf5/1.12.0_gcc84 | | | | | | libs/hdf5/1.12.0_gcc84_ompi31 | | | | | | libs/hdf5/1.12.0_gcc93 | | | | | | libs/hdf5/1.12.0_gcc93_ompi31 | +---------------------------------------+------------------+-----------------------------------------------+--------------------------------------+ | LibPSML | Libraries | | Pseudopotential Markup Language | | libs/libpsml/1.1.7_gcc82 | | | | | Used by DFT codes | | +---------------------------------------+------------------+-----------------------------------------------+--------------------------------------+ | LibXC | Libraries | | Library for Exchange Correlation | | libs/libxc/3.0.1_gcc48 | | | | | Functionals | | libs/libxc/3.0.1_gcc82 | | | | | Used by DFT codes | | libs/libxc/3.0.1_intel18 | | | | | | libs/libxc/4.2.3_intel18 | | | | | | libs/libxc/4.3.4_gcc82 | | | | | | libs/libxc/4.3.4_intel18 | +---------------------------------------+------------------+-----------------------------------------------+--------------------------------------+ | Magma | Libraries | | Dense Linear Algebra for | | libs/magma/2.5.1_gcc48 | | | | | hybrid Multicore+GPUs | | +---------------------------------------+------------------+-----------------------------------------------+--------------------------------------+ | NetCDF | Libraries | | Open Source File Format for | | libs/netcdf/4.1.1_gcc48 | | | | | Scientific Data | | libs/netcdf/4.7.1_gcc82 | | | | | | libs/netcdf/4.7.1_intel18 | | | | | | libs/netcdf/4.7.1_intel19 | | | | | | libs/netcdf/4.x_gcc48 | | | | | | libs/netcdf/4.x_gcc48_ompi2 | | | | | | libs/netcdf/4.x_gcc82 | | | | | | libs/netcdf/4.x_gcc82_ompi4 | | | | | | libs/netcdf/4.x_intel18 | | | | | | libs/netcdf/4.x_intel18_impi18 | | | | | | libs/netcdf/fortran-4.5.2_intel18 | +---------------------------------------+------------------+-----------------------------------------------+--------------------------------------+ | | BLAS/LAPACK | Libraries | Standard Linear Algebra Routines | | libs/netlib/3.8.0_gcc82 | | | (Netlib) | | | | libs/netlib/3.8.0_intel18 | +---------------------------------------+------------------+-----------------------------------------------+--------------------------------------+ | OpenBLAS | Libraries | | Optimized BLAS/LAPACK with | | libs/openblas/0.3.5_gcc48 | | | | | multithreading and CPU extensions | | libs/openblas/0.3.5_gcc82 | | | | | like AVX | | libs/openblas/0.3.7_gcc82 | | | | | | libs/openblas/0.3.9_gcc75 | | | | | | libs/openblas/0.3.9_gcc84 | | | | | | libs/openblas/0.3.9_gcc93 | +---------------------------------------+------------------+-----------------------------------------------+--------------------------------------+ | | BLAS/LAPACK | Libraries | Reference Libraries BLAS/LAPACK | | libs/refblas/3.8_gcc82 | | | (Reference) | | | | +---------------------------------------+------------------+-----------------------------------------------+--------------------------------------+ | Suitesparse | Libraries | | Routines for Sparse Linear Algebra | | libs/suitesparse/5.4.0_gcc82 | | | | | operations | | +---------------------------------------+------------------+-----------------------------------------------+--------------------------------------+ | Swig | Libraries | | Building Scripting Language interfaces | | libs/swig/4.0.1_gcc82 | | | | | to C and C++ | | +---------------------------------------+------------------+-----------------------------------------------+--------------------------------------+ | XMLF90 | Libraries | Support for XML in Fortran 90 | | libs/xmlf90/1.5.4_gcc48 | | | | | | libs/xmlf90/1.5.4_gcc82 | +---------------------------------------+------------------+-----------------------------------------------+--------------------------------------+ | YaML | Libraries | Yet Another Markup Language | | libs/yaml/0.2.2_gcc82 | +---------------------------------------+------------------+-----------------------------------------------+--------------------------------------+ | ZeroMQ | Libraries | | | libs/zeromq/4.3.1_gcc82 | +---------------------------------------+------------------+-----------------------------------------------+--------------------------------------+ | Cuda | Parallel | CUDA compiler and runtime | | parallel/cuda/10.0.130 | +---------------------------------------+------------------+-----------------------------------------------+--------------------------------------+ | HWLOC | Parallel | Hardware Location library | | parallel/hwloc/1.10.1_gcc48 | | | | | | parallel/hwloc/1.10.1_gcc82 | | | | | | parallel/hwloc/1.10.1_intel18 | | | | | | parallel/hwloc/1.11.13_gcc82 | | | | | | parallel/hwloc/2.0.3_gcc82 | | | | | | parallel/hwloc/2.0.3_intel18 | +---------------------------------------+------------------+-----------------------------------------------+--------------------------------------+ | Intel MPI | Parallel | Intel MPI library 2017 | | parallel/impi/2017 | +---------------------------------------+------------------+-----------------------------------------------+--------------------------------------+ | MPICH | Parallel | MPICH Implementation of MPI | | parallel/mpich/3.3_gcc82 | +---------------------------------------+------------------+-----------------------------------------------+--------------------------------------+ | MVAPICH | Parallel | MVAPICH Implementation of MPI | | parallel/mvapich2/2.3.1_gcc82 | +---------------------------------------+------------------+-----------------------------------------------+--------------------------------------+ | OpenMPI | Parallel | OpenMPI Implementation of MPI | | parallel/openmpi/2.1.2_gcc48 | | | | | | parallel/openmpi/2.1.6_gcc48 | | | | | | parallel/openmpi/2.1.6_gcc82 | | | | | | parallel/openmpi/2.1.6_intel18 | | | | | | parallel/openmpi/3.1.4_gcc48 | | | | | | parallel/openmpi/3.1.4_gcc82 | | | | | | parallel/openmpi/3.1.4_intel18 | | | | | | parallel/openmpi/3.1.6_gcc75 | | | | | | parallel/openmpi/3.1.6_gcc84 | | | | | | parallel/openmpi/3.1.6_gcc93 | +---------------------------------------+------------------+-----------------------------------------------+--------------------------------------+ | UCX | Parallel | UCX library communication framework | | parallel/ucx/1.5.0_gcc82 | +---------------------------------------+------------------+-----------------------------------------------+--------------------------------------+ | TMUX | Utils | Terminal Multiplexer | | utils/tmux/3.0a | +---------------------------------------+------------------+-----------------------------------------------+--------------------------------------+ +---------------------------------------+------------------+-----------------------------------------------+------------------------------------+ | Software Name | TIER 1 | Description | Modules | +=======================================+==================+===============================================+====================================+ | Conda | | Package and Environmnet Management | conda | +---------------------------------------+------------------+-----------------------------------------------+------------------------------------+ | Matlab | | Interactive Scientific Computing | matlab/2018b | +---------------------------------------+------------------+-----------------------------------------------+------------------------------------+ | Singularity | | Containerization for HPC Clusters | singularity/2.5.2 | +---------------------------------------+------------------+-----------------------------------------------+------------------------------------+ +---------------------------------------+------------------+------------------------------------------------------------+-----------------------------------------+ | Software Name | TIER 2 | Description | Modules | +=======================================+==================+============================================================+=========================================+ | ANSYS Fluids | ANSYS | Computational Fluid Dynamics | | ansys/fluids_19.2 | +---------------------------------------+------------------+------------------------------------------------------------+-----------------------------------------+ | CASA | Astronomy | | Common Astronomy Software | | astronomy/casa/5.3.0 | | | | | Applications | | astronomy/casa/5.4.1 | | | | | | astronomy/casa/5.6.0 | +---------------------------------------+------------------+------------------------------------------------------------+-----------------------------------------+ | ABINIT | Atomistic | Plane-wave based DFT code | | atomistic/abinit/8.10.2_intel18 | | | | | | atomistic/abinit/8.10.3_gcc82 | | | | | | atomistic/abinit/8.10.3_gcc82_mpiio | | | | | | atomistic/abinit/8.10.3_intel18 | | | | | | atomistic/abinit/9.0.4_gcc82 | +---------------------------------------+------------------+------------------------------------------------------------+-----------------------------------------+ | AMBER | Atomistic | Molecular Dynamics | | atomistic/amber/18_cuda | | | | | | atomistic/amber/18_mpi | | | | | | atomistic/amber/18_openmp | +---------------------------------------+------------------+------------------------------------------------------------+-----------------------------------------+ | ELK | Atomistic | All electron DFT | | atomistic/elk/5.2.14_intel18 | +---------------------------------------+------------------+------------------------------------------------------------+-----------------------------------------+ | Espresso | Atomistic | Plane-wave based DFT code | | atomistic/espresso/6.4_intel18_seq | | | | | | atomistic/espresso/6.4_intel18_thd | +---------------------------------------+------------------+------------------------------------------------------------+-----------------------------------------+ | Gaussian | Atomistic | Localized basis DFT code | | atomistic/gaussian/g16 | | | | | | atomistic/gaussian/g16_rev1 | | | | | | atomistic/gromacs/2016.6 | | | | | | atomistic/gromacs/2016.6_cuda | | | | | | atomistic/gromacs/2016.6_gcc48_cuda | | | | | | atomistic/gromacs/2016.6_gcc82 | | | | | | atomistic/gromacs/2016.6_plumed_gcc82 | | | | | | atomistic/gromacs/2018.8_gcc82 | | | | | | atomistic/gromacs/2018.8_plumed_gcc82 | | | | | | atomistic/gromacs/2019.3 | | | | | | atomistic/gromacs/2019.3_gcc48_cuda | | | | | | atomistic/gromacs/2019.4 | | | | | | atomistic/gromacs/2019.4_double | | | | | | atomistic/gromacs/2019.4_gcc82 | | | | | | atomistic/gromacs/2019.4_plumed_gcc82 | | | | | | atomistic/gromacs/5.1.5_cuda | +---------------------------------------+------------------+------------------------------------------------------------+-----------------------------------------+ | LAMMPS | Atomistic | Force Field Molecular Dynamics | | atomistic/lammps/2018-12-12_gcc82 | | | | | | atomistic/lammps/2018-12-12_gcc82_ompi| | | | | | atomistic/lammps/2019.06.05 | | | | | | atomistic/lammps/2019.08.07_gcc82_ompi| | | | | | atomistic/lammps/2019.08.07_intel19_im| +---------------------------------------+------------------+------------------------------------------------------------+-----------------------------------------+ | NAMD | Atomistic | Molecular Dynamics | | atomistic/namd/2.13_CPU | | | | | | atomistic/namd/2.13_CUDA | | | | | | atomistic/namd/NAMD_Git-2020-01-02-mpi| | | | | | atomistic/namd/NAMD_Git-2020-01-02-mpi| | | | | | atomistic/namd/NAMD_Git-2020-01-02-ofi| | | | | | atomistic/namd/NAMD_Git-2020-01-02-ofi| +---------------------------------------+------------------+------------------------------------------------------------+-----------------------------------------+ | Octopus | Atomistic | Real Space TD-DFT code | | atomistic/octopus/9.1_gcc82 | | | | | | atomistic/octopus/9.1_gcc82_ompi31 | +---------------------------------------+------------------+------------------------------------------------------------+-----------------------------------------+ | Orca | Atomistic | Molecular Dynamics | | atomistic/orca/4.2.1_ompi216 | | | | | | atomistic/orca/4.2.1_ompi314 | +---------------------------------------+------------------+------------------------------------------------------------+-----------------------------------------+ | Plumed | Atomistic | Molecular Dynamics | | atomistic/plumed/2.5.3_gcc82 | +---------------------------------------+------------------+------------------------------------------------------------+-----------------------------------------+ | Siesta | Atomistic | Localized Molecular Dynamics | | atomistic/siesta/4.0.2_intel18 | | | | | | atomistic/siesta/4.0.2_intel19 | +---------------------------------------+------------------+------------------------------------------------------------+-----------------------------------------+ | VASP | Atomistic | Plane-wave based DFT code | | atomistic/vasp/5.4.4_intel18_seq | | | | | | atomistic/vasp/5.4.4_intel18_thd | | | | | | atomistic/vasp/5.4.4_intel19_seq | | | | | | atomistic/vasp/5.4.4_intel19_thd | +---------------------------------------+------------------+------------------------------------------------------------+-----------------------------------------+ | Emboss | Bioinformatics | Tools for Sequence Analysis | | bioinformatics/emboss/6.6.0 | +---------------------------------------+------------------+------------------------------------------------------------+-----------------------------------------+ | GATK4 | Bioinformatics | Genome Analysis Toolkit | | bioinformatics/gatk/4.1.0 | +---------------------------------------+------------------+------------------------------------------------------------+-----------------------------------------+ | HDFVIEW | Data | Visualize HDF5 files | | data/hdfview/3.1.0 | +---------------------------------------+------------------+------------------------------------------------------------+-----------------------------------------+ | Dakota | Math Modeling | | Mathematical Optimization | | math/dakota/6.10 | | | | | and Uncertainty Quantification | | math/dakota/6.10-UI | | | | | | math/dakota/6.8 | | | | | | math/dakota/6.8-UI | +---------------------------------------+------------------+------------------------------------------------------------+-----------------------------------------+ | GAMS | Math Modeling | Mathematical Optimization Problems | | math/gams/26.1 | +---------------------------------------+------------------+------------------------------------------------------------+-----------------------------------------+ | Graphviz | Visualization | Visualize Graphs | | visual/graphviz/2.40.1_gcc82 | +---------------------------------------+------------------+------------------------------------------------------------+-----------------------------------------+ | Paraview | Visualization | Scientific Data Visualization Tool | | visual/paraview/5.6.0 | +---------------------------------------+------------------+------------------------------------------------------------+-----------------------------------------+ +---------------------------------------+------------------+------------------------------------------------------------+------------------------------------+ | Software Name | TIER 3 | Description | Modules | +=======================================+==================+============================================================+====================================+ | Metamodules | | | GCC + Python + Julia ... | | general_gcc82 | | | | | Intel Compilers + Python | | general_intel18 | | | | | Jupyter Notebooks | | jupyter_kernels | | | | | R Version 3.5.2 | | r/3.5.2 | | | | | R Version 3.6.2 | | r/3.6.2 | +---------------------------------------+------------------+------------------------------------------------------------+------------------------------------+ Software via Conda Environment ------------------------------ +---------------------------------------+------------------------------------------------------------------------------------------------------------------+ | Conda Environment Name | Description | +=======================================+==================================================================================================================+ | base | Base conda environment, the first environment when you activate conda | +---------------------------------------+------------------------------------------------------------------------------------------------------------------+ | genomics-core-2020b | Set of packages for Bioinformatics | +---------------------------------------+------------------------------------------------------------------------------------------------------------------+ | neural_gpu | Neural Networks and Deep Learning with GPUs | +---------------------------------------+------------------------------------------------------------------------------------------------------------------+ | python27 | Environment with Python Scientific Packages using Python 2.7 | +---------------------------------------+------------------------------------------------------------------------------------------------------------------+ | python35 | Environment with Python Scientific Packages using Python 3.5 | +---------------------------------------+------------------------------------------------------------------------------------------------------------------+ | python36 | Environment with Python Scientific Packages using Python 3.6 | +---------------------------------------+------------------------------------------------------------------------------------------------------------------+ | python37 | Environment with Python Scientific Packages using Python 3.7 | +---------------------------------------+------------------------------------------------------------------------------------------------------------------+ | qiime2-2020.2 | QIIME2 Next-Generation Microbiome Bioinformatics | +---------------------------------------+------------------------------------------------------------------------------------------------------------------+ Software via Singularity Images ------------------------------- +---------------------------------------+----------------------------------------------------------------------------------+------------------------+-----+-----+ | Image Name | Description | Based on | GUI | GPU | +=======================================+==================================================================================+========================+=====+=====+ | casa-5.6.2_centos6.simg | CASA build on CentOS 6 | centos:centos6 | No | No | +---------------------------------------+----------------------------------------------------------------------------------+------------------------+-----+-----+ | centos-final.simg | Example of image using libgraph 1.0.2, run examples | centos:latest | Yes | No | | | "circle", "julia" and "sample" | | | | +---------------------------------------+----------------------------------------------------------------------------------+------------------------+-----+-----+ | dakota-6.10-release-public-rhel7.simg | Dakota 6.10: Sandia software for optimization and | centos:latest | No | No | | | Uncertainty Quantification | | | | +---------------------------------------+----------------------------------------------------------------------------------+------------------------+-----+-----+ | docs_hpc_wvu.simg | Contains Sphinx, pandoc and scripts to create documentation | ubuntu:bionic | No | No | | | for https://docs.hpc.wvu.edu | | | | +---------------------------------------+----------------------------------------------------------------------------------+------------------------+-----+-----+ | dolmades.simg | Windows Apps under Linux using Singularity (using wine) | c1t4r/dolmades | Yes?| No | +---------------------------------------+----------------------------------------------------------------------------------+------------------------+-----+-----+ | Grass-7.4.0.simg | GRASS (Geographic Resources Analysis Support System), open source GIS | ubuntu:trusty | Yes | No | +---------------------------------------+----------------------------------------------------------------------------------+------------------------+-----+-----+ | Grass-7.4.simg | GRASS (Geographic Resources Analysis Support System), open source GIS | ubuntu:trusty | Yes | No | +---------------------------------------+----------------------------------------------------------------------------------+------------------------+-----+-----+ | Grass-7.6.1.simg | GRASS (Geographic Resources Analysis Support System), open source GIS | ubuntu:bionic | Yes | No | +---------------------------------------+----------------------------------------------------------------------------------+------------------------+-----+-----+ | Jupyter-5.2.2_Python-3.6.8.simg | Python 3.6.8 with a number of Scientific Packages and Jupyter Notebooks | ubuntu:bionic | Yes | No | +---------------------------------------+----------------------------------------------------------------------------------+------------------------+-----+-----+ | jupyter_conda.simg | Python 3.6.8 with a number of Scientific Packages and Jupyter Notebooks | continuumio/miniconda3 | Yes | No | +---------------------------------------+----------------------------------------------------------------------------------+------------------------+-----+-----+ | jupyter.simg | Python 3.6.8 with a number of Scientific Packages and Jupyter Notebooks | ubuntu:bionic | Yes | No | +---------------------------------------+----------------------------------------------------------------------------------+------------------------+-----+-----+ | jupyter-xenial.simg | Python 3.5.2 with a number of Scientific Packages and Jupyter Notebooks | ubuntu:xenial | Yes | No | +---------------------------------------+----------------------------------------------------------------------------------+------------------------+-----+-----+ | Keras-2.1.4_TensorFlow-1.5.0.simg | Neural Networks and Deep Learning with Keras 2.1.4 and TensorFlow 1.5.0 | gw000/keras-full:2.1.4 | Yes | Yes | +---------------------------------------+----------------------------------------------------------------------------------+------------------------+-----+-----+ | loos.simg | Lightweight Object-Oriented Structure library (LOOS) | ubuntu:trusty | No | No | +---------------------------------------+----------------------------------------------------------------------------------+------------------------+-----+-----+ | maxwell-b.simg | Maxwell is a Multi-GPU FDFD solver | nvidia/cuda:10.0-devel | No | Yes | +---------------------------------------+----------------------------------------------------------------------------------+------------------------+-----+-----+ | miniconda3_firefox.simg | Jupyter from miniconda with Firefox | continuumio/miniconda3 | Yes | No | +---------------------------------------+----------------------------------------------------------------------------------+------------------------+-----+-----+ | miniconda3.simg | Jupyter from miniconda without firefox | continuumio/miniconda3 | Yes | No | +---------------------------------------+----------------------------------------------------------------------------------+------------------------+-----+-----+ | orp-2.2.6.simg | Oyster River Protocol | macmaneslab/orp:2.2.6 | No | No | +---------------------------------------+----------------------------------------------------------------------------------+------------------------+-----+-----+ | pycbc-el7.simg | PyCBC Software for Study Gravitational Waves | pycbc/pycbc-el7:latest | No | No | +---------------------------------------+----------------------------------------------------------------------------------+------------------------+-----+-----+ | ParaView-5.6.0.simg | ParaView 5.6: open-source, multi-platform data analysis and visualization | ubuntu:bionic | Yes | No | +---------------------------------------+----------------------------------------------------------------------------------+------------------------+-----+-----+ | ParaView-5.7.0.simg | ParaView 5.7: open-source, multi-platform data analysis and visualization | ubuntu:bionic | Yes | No | +---------------------------------------+----------------------------------------------------------------------------------+------------------------+-----+-----+ | QGIS.simg | QGIS Software for Geographic Information Systems | ubuntu:bionic | Yes | No | +---------------------------------------+----------------------------------------------------------------------------------+------------------------+-----+-----+ | RStudio-desktop-1.2.5033_R-3.4.4.simg | RStudio Desktop 1.2 with R 3.4.4 | jekriske/r-base | Yes | No | +---------------------------------------+----------------------------------------------------------------------------------+------------------------+-----+-----+ | RStudio-server-1.2.5033_R-3.6.2.simg | RStudio Server 1.2 with R 3.6.2 | nickjer/singularity-r | Yes | No | +---------------------------------------+----------------------------------------------------------------------------------+------------------------+-----+-----+ | Stacks-2.5.simg | Stacks: Pipeline for building loci from short-read sequences like illumina | ubuntu:trusty | No | No | +---------------------------------------+------------------------------------------------------------+---------------------+------------------------+-----+-----+ | Tensorflow-1.13.1-gpu-py3-jupyter.simg| TensorFlow with support for GPUs | tensorflow/tensorflow:1.13.1-gpu-py3-jupyter | Yes | No | +---------------------------------------+------------------------------------------------------------+---------------------+------------------------+-----+-----+ | Tensorflow-1.13.1-py3-jupyter.simg | TensorFlow without support for GPUs | tensorflow/tensorflow:1.13.1-py3-jupyter | Yes | No | +---------------------------------------+------------------------------------------------------------+---------------------+------------------------+-----+-----+ | TensorFlow_gpu_py3.simg | TensorFlow with support for GPUs | tensorflow/tensorflow:latest-gpu-py3 | No | Yes | +---------------------------------------+------------------------------------------------------------+---------------------+------------------------+-----+-----+ | Ubuntu.simg | Ubuntu Xenial | ubuntu:xenial | No | No | +---------------------------------------+----------------------------------------------------------------------------------+------------------------+-----+-----+ | Visit-2.13.2.simg | Visit: Interactive, scalable, visualization, animation and analysis tool | ubuntu:trusty | No | No | +---------------------------------------+----------------------------------------------------------------------------------+------------------------+-----+-----+ | Visit-2.13.3.simg | Visit: Interactive, scalable, visualization, animation and analysis tool | ubuntu:bionic | No | No | +---------------------------------------+----------------------------------------------------------------------------------+------------------------+-----+-----+ | Visit-3.1.xenial.simg | Visit: Interactive, scalable, visualization, animation and analysis tool | ubuntu:xenial | No | No | +---------------------------------------+----------------------------------------------------------------------------------+------------------------+-----+-----+ | wkhtmltox-0.12.simg | wkhtmltopdf command line tools to render HTML into PDF and other image formats | ubuntu:trusty | No | No | +---------------------------------------+----------------------------------------------------------------------------------+------------------------+-----+-----+ | wkhtmltox.simg | wkhtmltopdf command line tools to render HTML into PDF and other image formats | ubuntu:trusty | No | No | +---------------------------------------+----------------------------------------------------------------------------------+------------------------+-----+-----+ | xfemm_v1_9_linux64.simg | Cross platform electromagnetics finite element analysis based on FEMM | debian:latest | No | No | +---------------------------------------+----------------------------------------------------------------------------------+------------------------+-----+-----+ | xfemm_v1_9_linux64.stretch.simg | Cross platform electromagnetics finite element analysis based on FEMM | debian:strecth | No | No | +---------------------------------------+----------------------------------------------------------------------------------+------------------------+-----+-----+