OCTOPUS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。現時点ではパスが通ってないものもありますので、ご利用の際はご注意ください。ソフトウェア名から利用方法の解説ページへアクセス可能です。
The following list is software and library installed on OCTOPUS. Please note that we do not set a path for most of these.
| Product name | Version | Installed path |
|---|---|---|
| Gaussian 16 | b01 | /octfs/apl/Gaussian/g16b01 |
| AVS/Express | Ver 8.5 | /octfs/apl/AVS/v8.5 |
| IDL | ver 8.7 | /octfs/apl/IDL/idl87/bin/idlde |
| GROMACS | 2016.1 | /octfs/apl/GROMACS/2016.1 |
| 2016.5 (for GPU) | /octfs/apl/GROMACS/2016.5_GPU | |
| OpneFOAM | 4.1 | /octfs/apl/OpenFOAM/4.1/OpenFOAM-4.1 |
| Quantum Espresso | 6.3 | /octfs/apl/QE/6.3 |
| LAMMPS | 11Aug17 | /octfs/apl/LAMMPS/lammps-11Aug17 |
| 11Aug17 (for GPU) | /octfs/apl/LAMMPS-GPU/lammps-11Aug17 | |
| 22Aug18 | /octfs/apl/LAMMPS/lammps-22Aug18 | |
| Anaconda | 3 | /octfs/apl/Anaconda3/ |
| Caffe | for intel CPU | /octfs/apl/Caffe-CPU |
| for GPU | /octfs/apl/Caffe | |
| Theano | 0.9.0 | export PATH=/octfs/apl/Anaconda3/bin:$PATH source activate py35theano |
| Chainer | 3.1.0 | export PATH=/octfs/apl/Anaconda3/bin:$PATH source activate py35chainer-gpu |
| TensorFlow | 1.3.0 | export PATH=/octfs/apl/Anaconda3/bin:$PATH source activate py35tensorflow-gpu |
| Torch | 7 (for CPU) | /octfs/apl/Torch |
| FLASH | - | Please see this page for a detail. |
| GAMESS | for 1 node | /octfs/apl/GAMESS/gamess |
| for multi-nodes | /octfs/apl/GAMESS/gamess-mpi | |
| intel MKL | 2018.3 | /octfs/apl/Intel/psxece2018u3/compilers_and_libraries_2018.3.222/linux/mkl |
| FreeFem++ | 3.61-1 | /octfs/apl/FreeFem/3.61-1 |
| ABINIT-MP | Open Ver.1 Rev.22 | /octfs/apl/kunipro/package/abinit-mp |
| FrontFlow/blue | 9.0 | /octfs/apl/kunipro/package/FFB |
| FrontISTR | 5.4 | /octfs/apl/kunipro/package/FrontISTR |
| GENESIS | 2.0.0 | /octfs/apl/kunipro/package/genesis/ |
| HΦ | 3.5.1 | /octfs/apl/kunipro/package/hphi |
| MODYLAS | 1.1.0b | /octfs/apl/kunipro/package/modylas |
| NTChem | 2013-12.3.0 | /octfs/apl/kunipro/package/ntchem |
| OpenMX | 3.9.2 | /octfs/apl/kunipro/package/openmx |
| PHASE/0 | 2021.01 | /octfs/apl/kunipro/package/phase |
| SALMON | 2.1.0 | /octfs/apl/kunipro/package/salmon |
| SMASH | 3.0.2 | /octfs/apl/kunipro/package/smash |
| mVMC | 1.2.0 | /octfs/apl/kunipro/package/mVMC |
| AkaiKKR | Cpa2021v001 | /octfs/apl/kunipro/package/AkaiKKR /octfs/apl/kunipro/package/AkaiKKR-GPU |
| ALAMODE | 1.4.2 | /octfs/apl/kunipro/package/ALAMODE |
| Phonopy | 2.11.0 | /octfs/apl/kunipro/package/phonopy |
| FFX | 59.01 | /octfs/apl/kunipro/package/FFX |
| FFVHC-ACE | 1.0.0 | /octfs/apl/kunipro/package/FFVHC-ACE |
| Relion | 2.1 | /octfs/apl/RELION/relion-2.1 |
| MotionCor2 | 1.0.5 | /octfs/apl/MotionCor2 |
| ResMap | 1.1.4 | /octfs/apl/RESMAP/1.1.4/ResMap-1.1.4-linux64 |
| CTFFIND | 4.1.8 | /octfs/apl/CTFFIND/4.1.8 |
| VisIT | 2.13.0 | /octfs/apl/VisIT/2_13_0.l |
| NcView | 2.1.7 | /octfs/apl/Ncview/2.1.7/ |
| XcalabelMP | kl | /octfs/apl/XMP |
| GNU Scientific Library | 1.15-13 | /usr/lib/usr/lib64 |
| Gnuplot | 4.6 | /usr/bin |
| 5.2.4 | /octfs/apl/Gnuplot/5.2.4 | |
| NetCDF-C | 4.4.1 4.6.1 |
/octfs/apl/NetCDF/C |
| NetCDF-FORTRAN | 4.4.4 | /octfs/apl/NetCDF/FORTRAN |
| Parallel NetCDF | 1.8.1 | /octfs/apl/parallel-netcdf/1.8.1 |
| HDF5 | 5-1.10.1 | /octfs/apl/HDF/5-1.10.1 |
| HDF5 Parallel | 5-1.10.1 | /octfs/apl/HDF/5-1.10.1_parallel | FFTW | 3.3.8 AVX2 SP | /octfs/apl/FFTW/fftw-3.3.8 | 3.3.8 AVX2 DP | /octfs/apl/FFTW/fftw-3.3.8-double | 3.3.8 AVX512 SP | /octfs/apl/FFTW/fftw-3.3.8_avx512 | 3.3.8 AVX512 DP | /octfs/apl/FFTW/fftw-3.3.8-double_avx512 |
