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.
| Product name | Version | Module name | |||
|---|---|---|---|---|---|
| for frontend | for CPU | for GPU | for Vector | ||
| Anaconda | 2020.11 | no module | |||
| AVS/Express Developer | 8.5 | AVSExpress/8.5 | |||
| NcView | 2.1.8 | no module | |||
| IDL | 8.8 | IDL/8.8 | |||
| 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 | 29-Oct-20 | lammps/29-Oct-20 | |||
| 29-Sep-21 | lammps/29-Sep-21.GPU | ||||
| Octave | 5.2.0 | octave/5.2.0 | |||
| OpenFORM | v2012 | OpenFOAM/v2012 | |||
| ABINIT-MP | 1.22 | abinit-mp/1.22 | abinit-mp/1.22.VEC | ||
| HΦ | 3.4.0 | HPhi/3.4.0 | |||
| MODYLAS | 1.0.4 | MODYLAS/1.0.4 | |||
| NTChem | 12 | NTChem/12.0 | |||
| OpenMX | 3.9 | OpenMX/3.9 | |||
| Phase/0 | 2020.01 | PHASE0/2020.01 | |||
| QuantumESPRESSO | 6.4.1, 7.0 | QuantumESPRESSO/7.0.GPU | QuantumESPRESSO/6.4.1.VEC | ||
| SALMON | 2.0.1 | salmon/2.0.1 | |||
| SMASH | 2.2.0 | smash/2.2.0 | |||
| Intel MKL | 2020update4 | BaseCPU/2021 | |||
| NEC Numeric Library Collection | 2.3.0 | BaseVEC/2021 necnlc/2.3.0 |
|||
| GNU Scientific Library | 2.5.1 | BaseGCC/2021 | |||
| HDF5 | 1.10.5 | BaseCPU/2021 hdf5/1.10.5 |
BaseGPU/2021 hdf5/1.10.5 |
BaseVEC/2021 hdf5/1.10.5 |
|
| NetCDF(C) | 4.7.4 | BaseCPU/2021 netcdf-c/4.7.4 |
BaseGPU/2021 netcdf-c/4.7.4 |
BaseVEC/2021 netcdf-c/4.7.4 |
|
| NetCDF(CXX) | 4.3.1 | BaseCPU/2021 netcdf-cxx/4.3.1 |
BaseGPU/2021 netcdf-cxx/4.3.1 |
BaseVEC/2021 netcdf-cxx/4.3.1 |
|
| NetCDF(fortran) | 4.5.3 | BaseCPU/2021 netcdf-fortran |
BaseGPU/2021 netcdf-fortran |
BaseVEC/2021 netcdf-fortran |
|
| Parallel netcdf(C) | 1.12.2 | BaseCPU/2021 pnetcdf-c/1.12.2 |
BaseGPU/2021 pnetcdf-c/1.12.2 |
BaseVEC/2021 pnetcdf-c/1.12.2 |
|
| Parallel netcdf(CXX) | 1.12.2 | BaseCPU/2021 pnetcdf-cxx/1.12.2 |
BaseGPU/2021 pnetcdf-cxx/1.12.2 |
BaseVEC/2021 pnetcdf-cxx/1.12.2 |
|
| Parallel netcdf(fortran) | 1.12.2 | BaseCPU/2021 pnetcdf-fortran/1.12.2 |
BaseGPU/2021 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 | こちらをご参照ください | ||
| TensorFlow | 2.4.0 | python3/3.6 | python3/3.6 python3/3.6.GPU | ||
| pbdR | 4.0.3 | R/4.0.3 | |||
| Arm Forge | 21.0 | BaseCPU/2021 ArmForge/21.0 |
|||
