@@ -11,9 +11,9 @@ title: 'Intel Compiler Classic'

 Version |  Module file Name | System A | System B/C | System G | Cloud Systems | Notes

 --- | --- | --- | --- | --- | --- | ---

 2024.0 | intel/2024.0 | + | +| - | + | Introduced in April 2024. Intel compiler + MKL + TBB

-2023.2 (default)  | intel/2023.2 | + | +| - | + | Introduced in April 2024. Intel compiler + MKL + TBB

+2023.2 | intel/2023.2 | + | +| - | + | Introduced in April 2024. Intel compiler + MKL + TBB

 2023.2-rt | intel/2023.2-rt | + | +| - | + | Introduced in April 2024. runtime libraries

-2023.1 | intel/2023.1 | + | + | - | + | Introduced in August 2023. Intel compiler + MKL + TBB

+2023.1 (default) | intel/2023.1 | + | + | - | + | Introduced in August 2023. Intel compiler + MKL + TBB

 2023.1-rt | intel/2023.1-rt | + | + | - | + | Introduced in August 2023. runtime libraries

 2022.3 (default) | intel/2022.3 | + | + | - | + | Introduced in November 2022. Intel compiler + MKL + TBB   

 2022.3 | intel/2022.3-rt | + | + | - | + | Introduced in November 2022. runtime libraries

@@ -11,9 +11,9 @@ title: 'Intelコンパイラ クラシック'

 バージョン       | モジュールファイル名 | システムA | システムB/C | システムG | クラウドシステム | 備考

 ---              | ---                  | --- | ---        | ---       | ---              | ---

 2024.0 | intel/2024.0 | + | +| - | + | 2024年4月導入.  Intelコンパイラ + MKL + TBB

-2023.2 (default)  | intel/2023.2 | + | +| - | + | 2024年4月導入.  Intelコンパイラ + MKL + TBB

+2023.2  | intel/2023.2 | + | +| - | + | 2024年4月導入.  Intelコンパイラ + MKL + TBB

 2023.2-rt | intel/2023.2-rt | + | +| - | + | 2024年4月導入.  ランタイムライブラリ

-2023.1 | intel/2023.1 | + | +| - | + | 2023年8月導入.  Intelコンパイラ + MKL + TBB

+2023.1 (default) | intel/2023.1 | + | +| - | + | 2023年8月導入.  Intelコンパイラ + MKL + TBB

 2023.1-rt | intel/2023.1-rt | + | +| - | + | 2023年8月導入.  ランタイムライブラリ

 2022.3 | intel/2022.3         | +  | +         | -         | +                | 2022年11月導入. Intelコンパイラ + MKL + TBB

 2022.3-rt        | intel/2022.3-rt      | +  | +         | -         | +                | 2022年11月導入. ランタイムライブラリ

@@ -88,13 +88,13 @@ $ module load gaussian16

 #### Using batchjob

-Example of a batch job script that runs in 4 parallel in node.

-

+Example of a batch job script that runs in 4 parallel in node. Please refer to [Batch Processing](/run/batch) for how to use batch. 

 ```nohighlight

 #!/bin/bash

 #============ Slurm Options ===========

 #SBATCH -p gr19999b

+#SBATCH -t 1:00:00

 #SBATCH --rsc p=1:t=4:c=4:m=120G

 #============ Shell Script ============

 set -x

@@ -120,13 +120,13 @@ The subg command is used for submitting batch jobs by specifying queue names, in

 #### Format

 ```nohighlight

-$ subg16 queue_name input_file [qsub_command_option ...]

+$ subg16 queue_name input_file [slurm_command_option ...]

 ```

 #### Example Specifying 4 parallels in a node and a total of 30 G bytes of memory in gr19999b.

 ```nohighlight

-$ subg16 gr19999b water.com --rsc p=1:t=4:c=4:m=30G

+$ subg16 gr19999b water.com --rsc p=1:t=4:c=4:m=30G -t 1:00:00

 ```

@@ -88,11 +88,12 @@ $ module load gaussian16

 #### バッチジョブの利用{#cpu_batchjob}

-ノード内4並列で実行するバッチジョブスクリプトの例です。

+ノード内4並列で実行するバッチジョブスクリプトの例です。バッチの利用方法は [バッチ処理](/run/batch) をご覧ください。

 ```nohighlight

 #!/bin/bash

 #============ Slurm Options ===========

 #SBATCH -p gr19999b

+#SBATCH -t 1:00:00

 #SBATCH --rsc p=1:t=4:c=4:m=120G

 #============ Shell Script ============

 set -x

@@ -110,7 +111,6 @@ srun g16 test0000.com

 %Mem=12GB

 ```

-

 ### subgコマンドでのバッチジョブ実行{#batchjob}

 subgコマンドは、キュー名、入力ファイルなどを指定し、バッチジョブを投入するコマンドです。ジョブスクリプトを書くよりも簡易にバッチジョブ投入が行えます。

@@ -118,15 +118,40 @@ subgコマンドは、キュー名、入力ファイルなどを指定し、バ

 #### 形式

 ```nohighlight

-$ subg16 queue_name input_file [qsub_command_option ...]

+$ subg16 queue_name input_file [slurm_command_option ...]

 ```

 #### 例 gr19999b のキューでノード内4並列、メモリ合計30Gバイトを指定

 ```nohighlight

-$ subg16 gr19999b water.com --rsc p=1:t=4:c=4:m=30G

+$ subg16 gr19999b water.com --rsc p=1:t=4:c=4:m=30G -t 1:00:00

+```

+<!--

+#### 例 gr19999b のキューでチェックポイントファイル(test.chk)を指定

+

+```nohighlight

+$ subg16 gr19999b water.com -y="test.chk"

+```

+

+#### 例 gr19999g のキューでcpuを16個指定

+

+```nohighlight

+$ subg16 gr19999g water.com -g=0-1=0-1

+```

+

+#### 例 gr19999g のキューでgpuを2つ指定

+

+```nohighlight

+$ subg16 gr19999g water.com -g=0-1=0-1

 ```

+##### CPUおよびGPUの指定方法

+

+

+**注意事項** <br>

+subg16コマンドでジョブを実行する場合、自動的にCPU AffinityおよびGPU Affinityを考慮して実行されます。

+入力ファイルで%CPUおよび%GPUCPUの指定はしないでください。

+-->

 <!--

 ### GPUを用いたバッチジョブ実行{#gpu_batchjob}

 システムGでGPUを用いた計算を行う場合、ジョブスクリプト内で、-g オプションを指定します。

@@ -23,6 +23,7 @@ You can check a list of available module files with the module avail command.

 Version                      | Module File Name | SystemA | System B/C/G | Cloud System

 ---------------------   | ------------------   | -----         | ----- | ---

  Maple 2024.0 (default) | maple/2024.0      | -   | KU            | -

+ Maple 2023.0  | maple/2023.0      | -   | KU            | -

  Maple 2022.0  | maple/2022.0      | -   | KU            | -

 KU ： Available for Kyoto University members only    

@@ -27,6 +27,7 @@ module avail コマンドにて，利用できるモジュールファイル一

 バージョン              | モジュールファイル名 | システムA | システムB/C/G | クラウドシステム

 ---------------------   | ------------------   | -----         | ----- | ---

  Maple 2024.0 (default) | maple/2024.0      | -   | KU            | -

+ Maple 2023.0  | maple/2023.0        | - | KU            | -

  Maple 2022.0  | maple/2022.0        | - | KU            | -

 KU ： 京都大学構成員限定で利用可能  

@@ -155,7 +155,7 @@ run_marc -j sample -b no -v n -nps $SLURM_NTASKS

 #SBATCH --rsc p=1:t=4:c=4:m=20G

 #============ Shell Script ============

 module load marc

-run_marc -j sample -b no -v n -nthread $OMP_NUM_THREADS

+srun run_marc -j sample -b no -v n -nthread $OMP_NUM_THREADS

 ```

 ### Available Options{#option}

@@ -153,7 +153,7 @@ run_marc -j sample -b no -v n -nps $SLURM_NTASKS

 #SBATCH --rsc p=1:t=4:c=4:m=20G

 #============ Shell Script ============

 module load marc

-run_marc -j sample -b no -v n -nthread $OMP_NUM_THREADS

+srun run_marc -j sample -b no -v n -nthread $OMP_NUM_THREADS

 ```

 ### 指定可能オプション{#option}

@@ -1,142 +1,160 @@

-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, -,

-Tecplot360, 2022R2, tecplot360/2022R2, -, KU, KU, -,

-Maple, 2022.0, maple/2022.0, -, 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, 2022.3.1, adams/2022.3.1, -, 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, -,

-ANSYS, 2022R2.2, ansysmcfd/2022R2.2, -, KU, KU, -,

-ANSYS, 2023R1.4, ansysmcfd/2022R1.4, -, KU, KU, -,

-AVS, 8.5.1, avs/8.5.1, -, AU, AU, -,

-Gaussian16, c01, gaussian16/c01, +, +, +, -,

-Gaussian9, e01, gaussian9/e01, +, +, +, -,

-LS-PREPOST, 4.9.10, ls-prepost/4.9.10, -, AU, AU, -,

-

-## 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 oneAPI, 2023.1, intel/2023.1, +, +, -, +,

-Intel MPI, 2018.4, intelmpi/2018.4, +, +, -, +,

-Intel MPI, 2022.3, intelmpi/2022.3, +, +, -, +,

-Intel MPI, 2023.1, intelmpi/2023.1, +, +, -, +,

-Intel VTune Profiler, 2018.4, vtune/2018.4, +, +, -, -,

-Intel VTune Profiler, 2022.3, vtune/2022.3, +, +, -, -,

-Indel Debugger, 2022.3, intel-debugger/2022.3, +, +, -, -,

-Open MPI, 4.0.5, openmpi/4.0.5_intel-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>

-PyTorch, 2.0.1, pytorch/2.0.1.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, +, +, -, +, Requires 2 core allocations per process.

-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, +, +, -, +,

-Anaconda3, 2022.10, anaconda3/2022.10, +, +, +, +,

-AWSCLI, 2.12.3, awscli/2.12.3, +, +, +, +,

-CP2K, 2023.1, cp2k/2023.1_gnu_12.2.0-impi, -, +, -, +

-LAMMPS, 22Dec2022, lammps/22Dec2022_intel-2022.3-impi, +, +, -, +,

-OpenFOAM, 2206, openfoam.com/2206_intel-2022.3-impi, +, +, -, +,

-OpenFOAM, 10, openfoam/10_intel-2022.3-impi, +, +, -, +,

-Quantum Espresso, 6.1, qe/6.1_intel-2018.0-impi, +, +, +, +,

-Quantum Espresso, 7.2, qe/7.2_intel-2022.3-impi, +, +, +, +,

-R, 4.2.2, r/4.2.2_gnu-12.2.0, -, +, -, +,

-

-#### System G

-

-## compiler

-NVIDIA HPC SDK, 22.5, nvhpc/22.5, -, -, +, -,

-NVIDIA HPC SDK, 22.9, nvhpc/22.9, -, -, +, -,

-NVIDIA HPC SDK, 23.5, nvhpc/23.5, -, -, +, -,

-Open MPI, 4.0.5, openmpi/4.0.5_nvhpc-22.5, -, -, +, -,

-Open MPI, 4.0.5, openmpi/4.0.5_nvhpc-22.9, -, -, +, -,

-Open MPI, 4.1.5, openmpi/4.1.5_nvhpc-23.5, -, -, +, -,

-

-## 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

-NAMD, 2.14, namd/2.14_multicore-cuda, -, -, +, -,

-

-## cuda

-CUDA, 9.2, cuda/9.2, -, -, +, -,

-CUDA, 11.2.1, cuda/11.2.1, -, -, +, -,

-CUDA, 11.7.1, cuda/11.7.1, -, -, +, -,

-CUDA, 12.1.1, cuda/12.1.1, -, -, +, -,

-

-## 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, -, -, +, -,

-

-

+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>"

+Python3,3.11, none, +, +, +, +," <a href=""software/python"">Manual</a>"

+gnuplot, 5.2.4, none, +, +, +, +, RHEL RPM

+CMake,3.26.5, none, +, +, +, +, RHEL RPM

+R,4.3.3, none, +, +, +, +, EPEL RPM

+Apptainer,1.3.0, none, +, +, +, +, EPEL RPM (旧名称:singularity)

+Paraview, 5.9.1, none, +, +, +, +, EPEL RPM

+GMT,6.1.0, none, +, +, +, +, EPEL RPM

+## common

+julia, 1.8.5, julia/1.8.5, +, +, +, +,

+## ISV

+Gaussian16, c02, gaussian16/c02, +, +, +, -,

+GaussView6,6.1.1, gaussian16/c02, +, +, +, -,

+Gaussian16, c01, gaussian16/c01, +, +, +, -,

+Gaussian9, e01, gaussian9/e01, +, +, +, -,

+ENVI, 5.6.3, envi/5.6.3, -, AU, AU, -,

+ENVI,6.0.0, envi/6.0.0, -, AU, AU, -,

+IDL, 8.8.3, idl/8.8.3, -, AU, AU, -,

+IDL,9.0.0, idl/9.0.0, -, AU, AU, -,

+Tecplot360, 2022R1, tecplot360/2022R1, -, KU, KU, -,

+Tecplot360, 2022R2, tecplot360/2022R2, -, KU, KU, -,

+Maple,2022, maple/2022.0, -, KU, KU, -,

+Maple,2023, maple/2023.0, -, KU, KU, -,

+Maple,2024, maple/2024.0, -, KU, KU, -,

+MATLAB, R2023a, matlab/R2023a, -, KU, KU, -,

+MSC Nastran,2022.3, nastran/2022.3, -, AU, AU, -,

+MSC Nastran,2023.2, nastran/2023.2, -, AU, AU, -,

+MSC Nastran,2023.4, nastran/2023.4, -, AU, AU, -,

+MSC Patran,2022.3, patran/2022.3, -, AU, AU, -,

+MSC Patran,2023.2, patran/2023.2, -, AU, AU, -,

+MSC Patran,2023.4, patran/2023.4, -, AU, AU, -,

+MSC Marc,2022.3, marc/2022.3, -, AU, AU, -,

+MSC Marc,2023.2, marc/2023.2, -, AU, AU, -,

+MSC Marc,2023.4, marc/2023.4, -, AU, AU, -,

+MSC Marc Mentat,2022.3, marc/2022.3, -, AU, AU, -,

+MSC Marc Mentat,2023.2, marc/2023.2, -, AU, AU, -,

+MSC Marc Mentat,2023.4, marc/2023.4, -, AU, AU, -,

+MSC Adams, 2022.3.1, adams/2022.3.1, -, AU, AU, -,

+MSC Adams,2023.2, adams/2023.2, -, AU, AU, -,

+MSC Adams,2023.4, adams/2023.4, -, AU, AU, -,

+LS-DYNA,R13.1.1, ls-dyna/R13.1.1, -, AU, AU, -,

+LS-DYNA,R14.1.0, ls-dyna/R14.0.0, -, AU, AU, -,

+Mathematica, 13.1.0, mathematica/13.1.0, -, KU, KU, -,

+Mathematica, 13.3.0, mathematica/13.3.0, -, KU, KU, -,

+Mathematica, 14.0.0, mathematica/14.0.0, -, KU, KU, -,

+ANSYS, 2022R2, ansysmcfd/2022R2, -, KU, KU, -,

+ANSYS, 2022R2.2, ansysmcfd/2022R2.2, -, KU, KU, -,

+ANSYS, 2023R1.4, ansysmcfd/2023R1.4, -, KU, KU, -,

+ANSYS, 2024R1.1, ansysmcfd/2024R1.1, -, KU, KU, -,

+AVS, 8.5.1, avs/8.5.1, -, AU, AU, -,

+LS-PREPOST, 4.9.10, ls-prepost/4.9.10, -, AU, AU, -,

+LS-PREPOST, 4.10.5, ls-prepost/4.10.5, -, AU, AU, -,

+## 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 oneAPI,2023.1, intel/2023.1, +, +, -, +,

+Intel oneAPI,2023.2, intel/2023.2, +, +, -, +,

+Intel oneAPI,2024.0, intel/2024.0, +, +, -, +,

+Intel MPI,2018.4, intelmpi/2018.4, +, +, -, +,

+Intel MPI,2022.3, intelmpi/2022.3, +, +, -, +,

+Intel MPI,2023.1, intelmpi/2023.1, +, +, -, +,

+Intel MPI,2024.0, intelmpi/2024.0, +, +, -, +,

+Intel VTune Profiler,2018.4, intel-vtune/2018.4, +, +, -, -,

+Intel VTune Profiler,2022.3, intel-vtune/2022.3, +, +, -, -,

+Intel VTune Profiler,2023.1, intel-vtune/2023.1, +, +, -, -,

+Intel VTune Profiler,2023.2, intel-vtune/2023.2, +, +, -, -,

+Intel VTune Profiler,2024.0, intel-vtune/2024.0, +, +, -, -,

+Indel Debugger,2022.3, intel-debugger/2022.3, +, +, -, -,

+Indel Debugger,2023.1, intel-debugger/2023.1, +, +, -, -,

+Indel Debugger,2023.2, intel-debugger/2023.2, +, +, -, -,

+Indel Debugger,2024.0, intel-debugger/2024.0, +, +, -, -,

+Open MPI, 4.0.5, openmpi/4.0.5_intel-2022.3, +, +, -, +,

+Open MPI, 4.1.5, openmpi/4.1.5_intel-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>"

+PyTorch, 2.0.1, pytorch/2.0.1.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, +, +, -, +, Requires 2 core allocations per process.

+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, +, +, -, +,

+Anaconda3,2022.1, anaconda3/2022.10, +, +, +, +,

+AWSCLI, 2.12.3, awscli/2.12.3, +, +, +, +,

+CP2K,2023.1, cp2k/2023.1_gnu_12.2.0-impi, -, +, -, +,

+LAMMPS, 22Dec2022, lammps/22Dec2022_intel-2022.3-impi, +, +, -, +,

+OpenFOAM,2206, openfoam.com/2206_intel-2022.3-impi, +, +, -, +,

+OpenFOAM,10, openfoam/10_intel-2022.3-impi, +, +, -, +,

+Quantum Espresso,6.1, qe/6.1_intel-2018.0-impi, +, +, +, +,

+Quantum Espresso,7.2, qe/7.2_intel-2022.3-impi, +, +, +, +,

+R, 4.2.2, r/4.2.2_gnu-12.2.0, -, +, -, +,

+#### System G

+## compiler

+NVIDIA HPC SDK,21.9, nvhpc/21.9, -, -, +, -,

+NVIDIA HPC SDK,22.5, nvhpc/22.5, -, -, +, -,

+NVIDIA HPC SDK,22.9, nvhpc/22.9, -, -, +, -,

+NVIDIA HPC SDK,23.5, nvhpc/23.5, -, -, +, -,

+NVIDIA HPC SDK,23.9, nvhpc/23.9, -, -, +, -,

+Open MPI, 4.0.5, openmpi/4.0.5_nvhpc-22.5, -, -, +, -,

+Open MPI, 4.0.5, openmpi/4.0.5_nvhpc-22.9, -, -, +, -,

+Open MPI, 4.1.5, openmpi/4.1.5_nvhpc-23.5, -, -, +, -,

+Open MPI, 4.1.5, openmpi/4.1.5_nvhpc-23.9, -, -, +, -,

+## 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

+NAMD,2.14, namd/2.14_multicore-cuda, -, -, +, -,

+## cuda

+CUDA,9.2, cuda/9.2, -, -, +, -,

+CUDA, 11.2.1, cuda/11.2.1, -, -, +, -,

+CUDA, 11.7.1, cuda/11.7.1, -, -, +, -,

+CUDA, 12.1.1, cuda/12.1.1, -, -, +, -,

+CUDA,12.2.2, cuda/12.2.2, -, -, +, -,

+## 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>"

+PyTorch,2.0.1, pytorch/2.0.1.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, -, -, +, -,

+cuDNN,8.9.7.29,cudnn/8.9.7.29_cuda-12.x, -, -, +, -,

+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, -, -, +, -,