Environment Modules¶
The Environment Modules system is a tool to help users manage their Unix or Linux shell environment, by allowing groups of related environment-variable settings to be made or removed dynamically.
The Environment Modules are stratified in several tiers and under several groups. Here we will show some of those key groups in particular for Thorny Flat.
Programming Languages¶
-------------------------------------------- /shared/modulefiles/tier0 ---------------------------------------------
lang/gcc/11.2.0 lang/nvidia/nvhpc-byo-compiler/21.3 lang/python/intelpython_2.7.14
lang/gcc/8.2.0 lang/nvidia/nvhpc-nompi/20.7 lang/python/intelpython_2.7.16
lang/gcc/9.3.0 lang/nvidia/nvhpc-nompi/21.11 lang/python/intelpython3_2019.5
lang/go/1.15.6 lang/nvidia/nvhpc-nompi/21.3 lang/python/intelpython3_2020.2
lang/intel/2018 lang/pgi/19.10 lang/python/intelpython_3.6.3
lang/intel/2018_u4 lang/pgi/19.4 lang/python/intelpython_3.6.9
lang/intel/2019 lang/python/cpython_3.10.1_gcc112 lang/python/intelpython_3.9.7
lang/intel/2019_u5 lang/python/cpython_3.7.4_gcc82 lang/python/pypy2.7-v7.3.2-linux64
lang/java/jdk-17.0.1 lang/python/cpython_3.8.10_gcc82 lang/python/pypy3.6-v7.1.1-thorny
lang/julia/1.6.5_gcc112 lang/python/cpython_3.8.10_gcc93 lang/python/pypy3.6-v7.3.2-linux64
lang/julia/1.7.1_gcc112 lang/python/cpython_3.8.12_gcc112 lang/python/pypy3.7-v7.3.2-linux64
lang/nvidia/nvhpc/20.7 lang/python/cpython_3.9.5_gcc82 lang/r/3.6.3_gcc112
lang/nvidia/nvhpc/21.11 lang/python/cpython_3.9.5_gcc93 lang/r/4.0.5_gcc112
lang/nvidia/nvhpc/21.3 lang/python/cpython_3.9.7_gcc93 lang/r/4.1.2_gcc112
lang/nvidia/nvhpc-byo-compiler/20.7 lang/python/cpython_3.9.9_gcc112 lang/r/4.1.3_gcc112
lang/nvidia/nvhpc-byo-compiler/21.11 lang/python/intelpython2_2019.5
Libraries¶
------------------------------------------------ /shared/modulefiles/tier0 -------------------------------------------------
libs/armadillo/9.9_gcc93 libs/hdf5/1.12.0_gcc82 libs/netcdf/fortran-4.5.3_gcc82
libs/arpack-ng/3.8.0_intel21 libs/hdf5/1.12.0_gcc82_ompi4.0.5 libs/netcdf/fortran-4.5.3_gcc82_ompi405
libs/arpack-ng/3.8.0_intel21_impi21 libs/hdf5/1.12.0_gcc93 libs/netcdf/fortran-4.5.3_gcc93
libs/atompaw/4.1.0.5_gcc48 libs/hdf5/1.12.0_gcc93_mpic341 libs/netcdf/fortran-4.5.3_gcc93_mpic341
libs/atompaw/4.1.0.5_intel18 libs/hdf5/1.12.0_gcc93_mvap235 libs/netcdf/fortran-4.5.3_gcc93_mvap235
libs/boost/1.41_gcc112 libs/hdf5/1.12.0_gcc93_ompi31 libs/netcdf/fortran-4.5.3_intel19
libs/boost/1.78_gcc112_mpic343 libs/hdf5/1.12.0_gcc93_ompi4.0.5 libs/netcdf/fortran-4.5.3_intel21
libs/boost/1.78_gcc112_mvap236 libs/hdf5/1.12.0_intel19 libs/netcdf/fortran-4.5.3_intel21_impi21
libs/boost/1.78_gcc112_ompi412 libs/hdf5/1.12.0_v12_gcc93 libs/netlib/3.8.0_gcc82
libs/boost/1.78_gcc48 libs/hdf5/1.12.1_gcc112 libs/netlib/3.8.0_intel18
libs/boost/1.78_gcc93 libs/hdf5/1.12.1_gcc112_mpic343 libs/openblas/0.3.13_gcc48
libs/cfitsio/4.0.0_gcc112 libs/hdf5/1.12.1_gcc112_mvap236 libs/openblas/0.3.13_gcc82
libs/eigen/3.3.7 libs/hdf5/1.12.1_gcc112_ompi412 libs/openblas/0.3.13_gcc93
libs/fftw/3.3.10_gcc112 libs/hdf5/1.12.1_intel21 libs/openblas/0.3.13_intel18
libs/fftw/3.3.10_gcc112_mpic343 libs/hdf5/1.12.1_intel21_impi21 libs/openblas/0.3.13_intel19
libs/fftw/3.3.10_gcc112_mvap236 libs/libpsml/1.1.10_intel21 libs/openblas/0.3.17_intel21
libs/fftw/3.3.10_gcc112_ompi412 libs/libpsml/1.1.7_gcc82 libs/openblas/0.3.19_gcc112
libs/fftw/3.3.10_intel21 libs/libpsml/1.1.7_gcc93 libs/pgplot/5.2.2_gcc112
libs/fftw/3.3.10_intel21_impi21 libs/libpsml/1.1.8_gcc112 libs/refblas/3.10_gcc112
libs/fftw/3.3.8_intel18 libs/libxc/3.0.1_gcc48 libs/refblas/3.10_gcc48
libs/fftw/3.3.8_intel18_thd libs/libxc/3.0.1_gcc82 libs/refblas/3.8_gcc82
libs/fftw/3.3.9_gcc48 libs/libxc/3.0.1_intel18 libs/scalapack/2.1.0_gcc112_mpic343
libs/fftw/3.3.9_gcc82 libs/libxc/4.3.4_gcc82 libs/scalapack/2.1.0_gcc112_mvap236
libs/fftw/3.3.9_gcc93 libs/libxc/4.3.4_gcc93 libs/scalapack/2.1.0_gcc112_ompi412
libs/fftw/3.3.9_gcc93_mpic341 libs/libxc/4.3.4_intel18 libs/scalapack/2.1.0_gcc82_mvap235
libs/fftw/3.3.9_gcc93_mvap235 libs/libxc/4.3.4_intel19 libs/scalapack/2.1.0_gcc93_mpic341
libs/fftw/3.3.9_intel18 libs/libxc/5.1.7_gcc112 libs/scalapack/2.1.0_gcc93_mvap235
libs/fftw/3.3.9_intel19 libs/libxc/5.1.7_intel21 libs/sparsehash/2.0.3
libs/fftw/3.3.9_intel21 libs/magma/2.5.1_gcc48 libs/suitesparse/5.4.0_gcc82
libs/fftw/3.3.9_intel21_impi21 libs/netcdf/4.7.4_gcc48 libs/superlu/5.2.1_gcc93
libs/gmp/6.2.0 libs/netcdf/4.7.4_gcc82 libs/swig/4.0.1_gcc82
libs/gridxc/0.9.6_intel21 libs/netcdf/4.7.4_gcc93 libs/wannier90/3.1.0_gcc112
libs/hdf5/1.10.5_gcc48_ompi31 libs/netcdf/4.7.4_gcc93_mpic341 libs/wcslib/7.7_gcc112
libs/hdf5/1.10.5_gcc82_ompi31 libs/netcdf/4.7.4_gcc93_mvap235 libs/xmlf90/1.5.4_gcc112
libs/hdf5/1.10.5_intel18 libs/netcdf/4.7.4_intel19 libs/xmlf90/1.5.4_gcc48
libs/hdf5/1.10.5_intel18_impi18 libs/netcdf/4.8.0_gcc82_ompi405 libs/xmlf90/1.5.4_gcc82
libs/hdf5/1.10.5_intel19 libs/netcdf/4.8.1_gcc112 libs/xmlf90/1.5.4_gcc93
libs/hdf5/1.10.5_intel19_impi19 libs/netcdf/4.8.1_intel21 libs/xmlf90/1.5.5_intel21
libs/hdf5/1.10.7_gcc48 libs/netcdf/4.8.1_intel21_impi21 libs/yaml/0.2.2_gcc82
libs/hdf5/1.10.7_gcc82 libs/netcdf/fortran-4.5.3_gcc112 libs/zeromq/4.3.1_gcc82
libs/hdf5/1.10.7_gcc93 libs/netcdf/fortran-4.5.3_gcc48
Parallel Libraries¶
----------------------------------------- /shared/modulefiles/tier0 ------------------------------------------
parallel/cuda/10.0 parallel/hwloc/2.5.0_gcc93 parallel/openmpi/3.1.6_gcc48
parallel/cuda/10.1 parallel/hwloc/2.6.0_gcc112 parallel/openmpi/3.1.6_gcc82
parallel/cuda/10.2 parallel/impi/2017 parallel/openmpi/3.1.6_gcc93
parallel/cuda/11.0 parallel/mpich/3.4.1_gcc93 parallel/openmpi/3.1.6_intel21
parallel/cuda/11.1 parallel/mpich/3.4.1_intel19 parallel/openmpi/4.0.5_gcc82
parallel/cuda/11.2 parallel/mpich/3.4.3_gcc112 parallel/openmpi/4.0.5_gcc93
parallel/cuda/11.3 parallel/mvapich2/2.3.5_gcc82 parallel/openmpi/4.0.7_intel21
parallel/cuda/11.4 parallel/mvapich2/2.3.5_gcc93 parallel/openmpi/4.1.1_gcc48
parallel/cuda/11.5 parallel/mvapich2/2.3.6_gcc112 parallel/openmpi/4.1.1_gcc82
parallel/cuda/11.6 parallel/openmpi/2.1.2_gcc48 parallel/openmpi/4.1.1_gcc93
parallel/hwloc/1.10.1_gcc48 parallel/openmpi/2.1.6_gcc48 parallel/openmpi/4.1.2_gcc112
parallel/hwloc/1.10.1_gcc82 parallel/openmpi/2.1.6_gcc82 parallel/openmpi/4.1.2_intel21
parallel/hwloc/1.10.1_intel18 parallel/openmpi/2.1.6_intel18 parallel/ucx/1.10.1_gcc48
parallel/hwloc/1.11.13_gcc82 parallel/openmpi/3.1.4_gcc48 parallel/ucx/1.10.1_gcc93
parallel/hwloc/2.0.3_gcc82 parallel/openmpi/3.1.4_gcc82 parallel/ucx/1.11.2_gcc112
parallel/hwloc/2.0.3_intel18 parallel/openmpi/3.1.4_gcc93 parallel/ucx/1.9.0_gcc82
parallel/hwloc/2.2.0_gcc82 parallel/openmpi/3.1.4_intel18 parallel/ucx/1.9.0_gcc93
parallel/hwloc/2.2.0_gcc93 parallel/openmpi/3.1.4_intel18_tm
parallel/hwloc/2.5.0_gcc48 parallel/openmpi/3.1.6_gcc112
Atomistic Packages¶
----------------------------------------- /shared/modulefiles/tier2 ------------------------------------------
atomistic/abinit/8.10.2_intel18 atomistic/namd/2.13_CPU
atomistic/abinit/8.10.3_gcc82 atomistic/namd/2.13_CUDA
atomistic/abinit/8.10.3_gcc82_mpiio atomistic/namd/NAMD_2.14-mpi
atomistic/abinit/8.10.3_intel18 atomistic/namd/NAMD_2.14-mpi-smp
atomistic/abinit/9.4.2_intel19_mpic341 atomistic/namd/NAMD_2.14-ofi
atomistic/abinit/9.4.2_intel21 atomistic/namd/NAMD_2.14-ofi-smp
atomistic/abinit/9.4.2_intel21_impi21 atomistic/namd/NAMD_Git-2021-12-14-mpi
atomistic/abinit/9.6.2_gcc93_ompi41 atomistic/namd/NAMD_Git-2021-12-14-mpi-smp
atomistic/abinit/9.6.2_intel21_impi21 atomistic/namd/NAMD_Git-2021-12-14-ofi
atomistic/amber/18_cuda atomistic/namd/NAMD_Git-2021-12-14-ofi-smp
atomistic/amber/18_mpi atomistic/octopus/10.4_gcc93_mpic341
atomistic/amber/18_openmp atomistic/octopus/11.0_intel21
atomistic/amber/20_gcc93_cuda113 atomistic/octopus/11.3_intel21_impi21
atomistic/amber/20_gcc93_mpic341 atomistic/octopus/11.3_intel21_impi21_prereq
atomistic/amber/20_gcc93_mpic341_cuda113 atomistic/orca/5.0.1_shared
atomistic/amber/20_gcc93_openmp atomistic/orca/5.0.2_shared
atomistic/amber/20_gcc93_serial atomistic/orca/5.0.2_static
atomistic/amber/20_intel21_impi21 atomistic/orca/5.0.3_shared
atomistic/amber/20_intel21_openmp atomistic/orca/5.0.3_static
atomistic/amber/20_intel21_serial atomistic/plumed/2.5.3_gcc82
atomistic/castep/19.11-mpi_intel18 atomistic/plumed/2.7.1_gcc93_mpic341
atomistic/elk/5.2.14_intel18 atomistic/siesta/4.0.2_intel18
atomistic/elk/7.2.42_intel21 atomistic/siesta/4.0.2_intel19
atomistic/elk/8.3.15_intel21_impi21 atomistic/siesta/4.1.5_intel21
atomistic/espresso/6.4_intel18_seq atomistic/siesta/4.1.5_intel21_impi21
atomistic/espresso/6.4_intel18_thd atomistic/siesta/4.1.5_psml_intel21
atomistic/espresso/6.8_intel21 atomistic/vasp/5.4.4_intel18_seq
atomistic/espresso/6.8_intel21_impi21 atomistic/vasp/5.4.4_intel18_thd
atomistic/gaussian/g16 atomistic/vasp/5.4.4_intel19_seq
atomistic/gaussian/g16_rev1 atomistic/vasp/5.4.4_intel19_thd
atomistic/gromacs/2016.6_gcc48_cuda10 atomistic/vasp/6.2.1_intel19
atomistic/gromacs/2021.3_double_intel21 atomistic/vasp/6.2.1_intel21
atomistic/gromacs/2021.3_intel21 atomistic/vasp/6.2.1_intel21_impi21
atomistic/gromacs/2021.4_gcc93_ompi411 atomistic/vasp/6.2.1_intel21_impi21_prereq
atomistic/gromacs/2021.4_gcc93_ompi411_cuda11 atomistic/wannier90/1.2_gcc93
atomistic/gromacs/5.1.5_cuda10 atomistic/wannier90/2.1.0_gcc82
atomistic/gromacs/5.1.5_double_intel18 atomistic/wannier90/2.1.0_gcc93
atomistic/gromacs/5.1.5_intel18 atomistic/wannier90/3.1.0_gcc82
atomistic/gromacs/5.1.5_intel19 atomistic/wannier90/3.1.0_gcc93
atomistic/lammps/2020.10.29_gcc93_mpic341 atomistic/wannier90/3.1.0_intel19
atomistic/mesmer/6.0_gcc93 atomistic/wannier90/3.1.0_intel21
atomistic/mesmer/6.0_intel19
Modules for Intel Compilers, Math and Parallel Libraries¶
------------------------------ /shared/modulefiles/intel -------------------------------
advisor/2021.2.0 dnnl/latest intel_ipp_ia32/latest
advisor/2021.4.0 dnnl-cpu-gomp/2021.2.0 intel_ipp_intel64/2021.2.0
advisor/latest dnnl-cpu-gomp/2021.4.0 intel_ipp_intel64/2021.4.0
ccl/2021.2.0 dnnl-cpu-gomp/latest intel_ipp_intel64/latest
ccl/2021.4.0 dnnl-cpu-iomp/2021.2.0 itac/2021.4.0
ccl/latest dnnl-cpu-iomp/2021.4.0 itac/latest
clck/2021.4.0 dnnl-cpu-iomp/latest mkl/2021.2.0
clck/latest dnnl-cpu-tbb/2021.2.0 mkl/2021.4.0
compiler/2021.2.0 dnnl-cpu-tbb/2021.4.0 mkl/latest
compiler/2021.4.0 dnnl-cpu-tbb/latest mkl32/2021.2.0
compiler/latest dpct/2021.2.0 mkl32/2021.4.0
compiler32/2021.2.0 dpct/2021.4.0 mkl32/latest
compiler32/2021.4.0 dpct/latest mpi/2021.2.0
compiler32/latest dpl/2021.2.0 mpi/2021.4.0
compiler-rt/2021.2.0 dpl/2021.5.0 mpi/latest
compiler-rt/2021.4.0 dpl/latest oclfpga/2021.2.0
compiler-rt/latest icc/2021.4.0 oclfpga/2021.4.0
compiler-rt32/2021.2.0 icc/latest oclfpga/latest
compiler-rt32/2021.4.0 icc32/2021.4.0 tbb/2021.2.0
compiler-rt32/latest icc32/latest tbb/2021.4.0
dal/2021.2.0 init_opencl/2021.2.0 tbb/latest
dal/2021.4.0 init_opencl/2021.4.0 tbb32/2021.2.0
dal/latest init_opencl/latest tbb32/2021.4.0
debugger/10.1.1 inspector/2021.4.0 tbb32/latest
debugger/10.2.4 inspector/latest vpl/2021.2.2
debugger/latest intel_ippcp_ia32/2021.4.0 vpl/2021.6.0
dev-utilities/2021.2.0 intel_ippcp_ia32/latest vpl/latest
dev-utilities/2021.4.0 intel_ippcp_intel64/2021.4.0 vtune/2021.2.0
dev-utilities/latest intel_ippcp_intel64/latest vtune/2021.7.1
dnnl/2021.2.0 intel_ipp_ia32/2021.2.0 vtune/latest
dnnl/2021.4.0 intel_ipp_ia32/2021.4.0