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
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 8.1 /octfs/apl/kunipro/package/FFB8
FrontISTR 5.1.1 /octfs/apl/kunipro/package/FrontISTR
GENESIS 1.5.1 /octfs/apl/kunipro/package/genesis/
3.4.0 /octfs/apl/kunipro/package/hphi
MODYLAS 1.1.0b /octfs/apl/kunipro/package/modylas
NTChem 2013-11.1 /octfs/apl/kunipro/package/ntchem
OpenMX 3.9.2 /octfs/apl/kunipro/package/openmx
PHASE/0 2019.02 /octfs/apl/kunipro/package/phase
SALMON 2.0.0 /octfs/apl/kunipro/package/salmon
SMASH 2.2.0 /octfs/apl/kunipro/package/smash
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