Software Name, Version, Module File, System A, System B/C, System G, Cloud System, Note

## rpm
GCC, 8.5.0, none, +, +, +, +, RHEL RPM
Python2, 2.7, none, +, +, +, +, <a href="software/python">Manual</a>
Python3, 3.6, none, +, +, +, +, <a href="software/python">Manual</a>
Python3, 3.8, none, +, +, +, +, <a href="software/python">Manual</a>
gnuplot, 5.2.4, none, +, +, +, +, RHEL RPM
CMake, 3.20, none, +, +, +, +, RHEL RPM
R, 4.2.1, none, +, +, +, +, EPEL RPM
Apptainer, 1.1.2, none, +, +, +, +, EPEL RPM (旧名称:singularity)
Paraview, 5.9.1, none, +, +, +, +, EPEL RPM
GMT, GMT-6.1.0, none, +, +, +, +, EPEL RPM

## common
julia, 1.8.5, julia/1.8.5, +, +, +, +,

## ISV
Gaussian16, c02, gaussian16/c02, +, +, +, -,
GaussView6, 6.1, gaussian16/c02, +, +, +, -,
ENVI, 5.6.3, envi/5.6.3, -, AU, AU, -,
IDL, 8.8.3, idl/8.8.3, -, AU, AU, -,
Tecplot360, 2022R1, tecplot360/2022R1, -, KU, KU, -,
Maple, 2022.0, maple/2022.0, -, KU, KU, -,
MATLAB, R2022b, matlab/R2022b, -, KU, KU, -,
MATLAB, R2023a, matlab/R2023a, -, KU, KU, -,
MSC Nastran, 2022.3, nastran/2022.3, -, AU, AU, -,
MSC Patran, 2022.3, patran/2022.3, -, AU, AU, -,
MSC Marc, 2022.3, marc/2022.3, -, AU, AU, -,
MSC Marc Mentat, 2022.3, marc/2022.3, -, AU, AU, -,
MSC Adams, 2022.3, adams/2022.3, -, AU, AU, -,
LS-DYNA, R13.1.1, ls-dyna/R13.1.1, -, AU, AU, -,
Mathematica, 13.1.0, mathematica/13.1.0, -, KU, KU, -,
ANSYS, 2022R2, ansysmcfd/2022R2, -, KU, KU, -,

## Num Lib
NAG Fortran Library, Mark 26, nag_fortran/26, -, +, -, -,
NAG MPI Parallel Library, Release 3, nag_paralell/3, -, +, -, -,
IMSL FORTRAN NUMERICAL LIBRARY, 2022.1.0, imsl/fnl-2022.1.0, -, +, -, -,

## compiler
Intel oneAPI, 2018.4, intel/2018.4, +, +, -, +,
Intel oneAPI, 2022.3, intel/2022.3, +, +, -, +,
Intel MPI, 2018.4, intelmpi/2018.4, +, +, -, +,
Intel MPI, 2022.3, intelmpi/2022.3, +, +, -, +,
#Intel VTune Profiler, 2018.4, vtune/2018.4, +, +, -, -,
Intel VTune Profiler, 2022.3, vtune/2022.3, +, +, -, -,



## ML/DL
MXNet, 1.6.0, mxnet/1.6.0.py38_intel-2022.3, +, +, -, -, <a href="software/python">Manual</a>
PyTorch, 1.13.1, pytorch/1.13.1.py38_intel-2022.3, +, +, -, -, <a href="software/python">Manual</a>
TensorFlow, 2.11.0, tensorflow/2.11.0.py38_intel-2022.3, +, +, -, -, <a href="software/python">Manual</a>


## python
mpi4py, 3.1.4, mpi4py/3.1.4.py38_intel-2022.3-impi, +, +, -, -, <a href="software/python">Manual</a>

## OSS
ARPACK, 3.9.0, arpack/3.9.0_intel-2022.3-impi, +, +, +, +,
CMake, 3.24.3, cmake/3.24.3_gnu-8.5.0, +, +, +, +,
FFTW, 3.3.10, fftw/3.3.10_intel-2022.3-impi, +, +, +, +,
HDF5, 1.12.2, hdf5/1.12.2_intel-2022.3, +, +, +, +,
HDF5+MPI, 1.12.2, hdf5/1.12.2_intel-2022.3-impi, +, +, +, +,
NETCDF, 4.9.0, netcdf/4.9.0_intel-2022.3, +, +, +, +,
NETCDF+MPI, 4.9.0, netcdf/4.9.0_intel-2022.3-impi, +, +, +, +,
Quantum Espresso, 7.1, qe/7.1_intel-2022.3-impi, +, +, +, +,
PETSc, 3.18.0, petsc/3.18.0_intel-2022.3-impi, +, +, -, +,
LAMMPS, 23Jun2022, lammps/23Jun2022_intel-2022.3-impi, +, +, -, +,
GAMESS, 2022.2, gamess/2022.2_intel-2022.3-impi, +, +, -, +,
PLASMA, 19.8.1, plasma/19.8.1_intel-2022.3-impi, +, +, -, +,
SuperLU, 5.3.0, superlu/5.3.0_intel-2022.3, +, +, -, +,
OpenMX, 3.9, openmx/3.9_intel-2022.3-impi, +, +, -, +,
Gromacs (double-precision), 2022.4, gromacs/2022.4_gnu-12.2.0-impi_dp_mpi, +, +, +, +, GCC+MPI 
Gromacs (double-precision), 2022.4, gromacs/2022.4_gnu-12.2.0-impi_dp_smp, +, +, +, +, GCC+SMP
Gromacs (single-precision), 2022.4, gromacs/2022.4_gnu-12.2.0-impi_sp_mpi, +, +, +, +, GCC+MPI
Gromacs (single-precision), 2022.4, gromacs/2022.4_gnu-12.2.0-impi_sp_smp, +, +, +, +, GCC+SMP
Paraview, 5.11.0, paraview/5.11.0, +, +, +, +, binary distribution
VisIt, 3.3.1, visit/3.3.1_gnu-12.2.0, +, +, +, +,
grads, 2.0.2, grads/2.0.2_intel-2022.3, +, +, +, +, 
grads, 2.2.1, grads/2.2.1_intel-2022.3, +, +, +, +, 
NAMD, 2.14, namd/2.14_intel-2022.3-impi, +, -, +,

#### System G

## compiler
NVIDIA HPC SDK, 22.5, nvhpc/22.5, -, -, +, -,
NVIDIA HPC SDK, 22.9, nvhpc/22.9, -, -, +, -,
Open MPI, 4.0.5, openmpi/4.0.5_nvhpc-22.5, -, -, +, -,
Open MPI, 4.0.5, openmpi/4.0.5_nvhpc-22.9, -, -, +, -,

## OSS
FFTW, 3.3.10, fftw/3.3.10_nvhpc-22.9-ompi, -, -, +, -,
HDF5, 1.12.2, hdf5/1.12.2_nvhpc-22.9, -, -, +, -,
HDF5+MPI, 1.12.2, hdf5/1.12.2_nvhpc-22.9-ompi, -, -, +, -,
NETCDF, 4.9.0, netcdf/4.9.0_nvhpc-22.9, -, -, +, -,
NETCDF+MPI, 4.9.0, netcdf/4.9.0_nvhpc-22.9-ompi, -, -, +, -,
Gromacs (single-precision), 2022.4, gromacs/2022.4_gnu-8.5.0_cuda-11.7_ompi_sp_smp, -, -, +, -, GCC+SMP+CUDA
Gromacs (double-precision), 2022.4, gromacs/2022.4_gnu-8.5.0_cuda-11.7_ompi_dp_smp, -, -, +, -, GCC+SMP+CUDA

## cuda
CUDA, 9.2, cuda/9.2, -, -, +, -,
CUDA, 11.2.1, cuda/11.2.1, -, -, +, -,
CUDA, 11.7.1, cuda/11.7.1, -, -, +, -,

## ML/DL
MXNet, 1.9.1, mxnet/1.9.1.py38_cuda-11.7, -, -, +, -, <a href="software/python">Manual</a>
PyTorch, 1.13.1, pytorch/1.13.1.py38_cuda-11.7, -, -, +, -, <a href="software/python">Manual</a>
TensorFlow, 2.11.0, tensorflow/2.11.0.py38_cuda-11.2, -, -, +, -, <a href="software/python">Manual</a>

## python
mpi4py, 3.1.4, mpi4py/3.1.4.py38_nhvpc-22.9-ompi, -, -, +, -, <a href="software/python">Manual</a>

cuDNN, 8.1.1.33, cudnn/8.1.1.33_cuda-11.2, -, -, +, -,
cuDNN, 8.6.0.163, cudnn/8.6.0.163_cuda-11.7, -, -, +, -,
NCCL, 2.8.4, nccl/2.8.4_cuda-11.2, -, -, +, -,
NCCL, 2.14.3, nccl/2.14.3_cuda-11.7, -, -, +, -,
TensorRT, 7.2.3.4, tensorrt/7.2.3.4_cuda-11.2, -, -, +, -,