SQUIDにインストールされているソフトウェア、ライブラリの一覧です。多くの場合、ソフトウェア、ライブラリを利用する前に対応したモジュールをロードする必要があります。詳細は各ソフトウェアの個別の利用方法解説ページをご参照ください（ソフトウェア名からアクセス可能です）。モジュールコマンドの使い方・仕組みについてはこちらをご参照ください。
The following list is software and library installed on SQUID. Please note that we do not set a path for most of these. Before you use the software and library, you need to load the modules in most of the case. Please see this page for a detail of module command.
提供しているソフトウェアにはOSS（オープンソースソフトウェア）が含まれます。OSSのライセンス規約が変更された場合、サービスの提供を停止する可能性がありますので、予めご了承ください。
Notice: The software provided includes OSS (Open Source Software). In the event of a change in the OSS license terms, we may have to suspend the service.
| Product name | Version | Module name | |||
|---|---|---|---|---|---|
| for frontend | for CPU | for GPU | for Vector | ||
| AVS/Express Developer | 8.5 | AVSExpress/8.5 | |||
| NcView | 2.1.8 | no module | |||
| IDL | 9.0 | IDL/9.0 | |||
| Gnuplot | 5.2.4 | no module | |||
| ImageMagick | 6.9.10-86 Q16 | no module | |||
| ParaView | 5.8.1 | ParaView/5.8.1 | |||
| Relion | 3.1.1 | relion/3.1.1 | |||
| VisIt | 3.1.3 | VisItv/3.1.3 | |||
| Gaussian | g16c01 | Gaussian/g16 | |||
| g16c02 | Gaussian/g16.g16c02 | Gaussian/g16.g16c02 | |||
| ADIOS | 1.13.1 | adios/1.13.1 | |||
| GAMESS | v2020.2 | GAMESS/v2020.2 | |||
| GROMACS | 2020.3 | gromacs/2020.3 | |||
| 2021.2 | gromacs/2021.2mpi.GPU | ||||
| LAMMPS | 2Aug2023_update2 | lammps/2Aug2023_update2 | |||
| 2Aug2023_update2 | lammps/2Aug2023_update2.GPU | ||||
| Octave | 5.2.0 | octave/10.1.0 | |||
| OpenFOAM | v2012 | OpenFOAM/v2012 | |||
| ABINIT-MP | 1.22 | abinit-mp/1.22 | abinit-mp/1.22.VEC | ||
| QuantumESPRESSO | 6.4.1 | QuantumESPRESSO/7.2 | QuantumESPRESSO/7.0.GPU | QuantumESPRESSO/6.4.1.VEC | |
| Intel MKL | 2020update4 | BaseCPU | |||
| NEC Numeric Library Collection | 2.3.0 | BaseVEC necnlc/2.3.0 |
|||
| GNU Scientific Library | 2.5.1 | BaseGCC | |||
| HDF5 | 1.10.5(CPU nodes only 1.14.1) | BaseCPU hdf5/1.14.1 |
BaseGPU hdf5/1.10.5 |
BaseVEC hdf5/1.10.5 |
|
| NetCDF(C) | 4.7.4(CPU nodes only 4.9.2) | BaseCPU netcdf-c/4.9.2 |
BaseGPU netcdf-c/4.7.4 |
BaseVEC netcdf-c/4.7.4 |
|
| NetCDF(CXX) | 4.3.1 | BaseCPU netcdf-cxx/4.3.1 |
BaseGPU netcdf-cxx/4.3.1 |
BaseVEC netcdf-cxx/4.3.1 |
|
| NetCDF(fortran) | 4.5.3(CPU nodes only 4.6.1) | BaseCPU netcdf-fortran |
BaseGPU netcdf-fortran |
BaseVEC netcdf-fortran |
|
| Parallel netcdf(C) | 1.12.2(CPU nodes only 1.12.3) | BaseCPU pnetcdf-c/1.12.3 |
BaseGPU pnetcdf-c/1.12.2 |
BaseVEC pnetcdf-c/1.12.2 |
|
| Parallel netcdf(CXX) | 1.12.2(CPU nodes only 1.12.3) | BaseCPU pnetcdf-cxx/1.12.3 |
BaseGPU pnetcdf-cxx/1.12.2 |
BaseVEC pnetcdf-cxx/1.12.2 |
|
| Parallel netcdf(fortran) | 1.12.2(CPU nodes only 1.12.3) | BaseCPU pnetcdf-fortran/1.12.3 |
BaseGPU pnetcdf-fortran/1.12.2 |
pnetcdf-fortran/1.12.2 | |
| Keras | 1.0.8 | python3/3.6 | python3/3.6 python3/3.6.GPU | ||
| PyTorch | 1.7.0 | python3/3.6 | Please see this page for a detail of a module command. | ||
| TensorFlow | 2.4.0 | python3/3.6 | python3/3.6 python3/3.6.GPU | ||
| pbdR | 4.0.3 | R/4.0.3 | |||
| Linaro Forge | 24.1.1 | BaseCPU LinaroForge |
|||
| miniforge | - | How to install | |||
| MODYLAS | 1.1.0 | - | MODYLAS/1.1.0 | - | - |
| SALMON | 2.2.0 | - | salmon/2.2.0 | - | - |
| FFX | 67.04（3.1.1） | - | FFX/3.1.1 | - | - |
| PHASE/0 | 2023.01 | - | PHASE0/2023.01.2D PHASE0/2023.01.3D |
- | PHASE0/2023.01.VEC |
| FrontISTR | 5.5, 5.3 | - | FrontISTR/5.5 | - | FrontISTR/5.3.VEC |
| GENESIS | 2.1.2 | - | GENESIS/2.1.2.double [double precision] GENESIS/2.1.2.mixed [mixed precision] GENESIS/2.1.2.single [single precision] |
GENESIS/2.1.2.GPU.double [double precision] GENESIS/2.1.2.GPU.mixed [mixed precision] GENESIS/2.1.2.GPU.single [single precision] |
- |
| NTChem | 23.09 | - | NTChem/23.09.mpiomp | - | - |
| OpenMX | 3.9.9 | - | OpenMX/3.9.9 | - | - |
| HΦ | 3.5.0 | - | HPhi/3.5.1 | - | - |
| SMASH | 3.0.2 | - | SMASH/3.0.2 | - | - |
| mVMC | 1.2.0 | - | mVMC/1.2.0 | - | - |
| FrontFlow/blue | 9.0 | - | FFB/9.0 | - | - |
| FFVHC-ACE | 0.1 | - | FFVHC-ACE/0.1 | - | - |
| Phonopy | 2.20 | - | phonopy/2.20.0 | - | - |
| ALAMODE | 1.50 | - | ALAMODE/1.5.0 | - | - |
| AkaiKKR | cpa2021v02 | - | AkaiKKR/cpa2021v02 | AkaiKKR/cpa2021v02.GPU | - |
