| Prossima revisione | Revisione precedente |
| calcoloscientifico:softwareapplicativonew1 [27/11/2018 14:23] – creata fausto.pagani | calcoloscientifico:softwareapplicativonew1 [20/02/2020 12:20] (versione attuale) – fausto.pagani |
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| ==== Software List ==== | ==== Software List ==== |
| | |
| | Environment Software (libraries): |
| | [[ calcoloscientifico:softwareapplicativo:library | Library ]] |
| | |
| | Environment Software (compilers, debuggers, profilers): |
| | [[ calcoloscientifico:softwareapplicativoNEW1:Compiler | Compilers, debuggers, profilers, container, conda, ]] |
| | |
| | Application/tools (Chemistry) |
| | [[ calcoloscientifico:softwareapplicativoNEW1:Chem | Chemistry ]] |
| | |
| | Application/tools (Physics) |
| | [[ calcoloscientifico:softwareapplicativoNEW1:Phisics | Physics ]] |
| | |
| | Application/tools (Math) |
| | [[ calcoloscientifico:softwareapplicativoNEW1:Math | Math ]] |
| | |
| | Application/tools (Life Science) |
| | [[ calcoloscientifico:softwareapplicativoNEW1:lifesci | Life Science ]] |
| | |
| | Application/tools (Engineering) |
| | [[ calcoloscientifico:softwareapplicativoNEW1:eng | Engineering ]] |
| | |
| | Application/tools (Bioinformatics) |
| | [[ calcoloscientifico:softwareapplicativoNEW1:bioinf | Bioinformatics ]] |
| | |
| | |
| | Application/tools (All) |
| | [[ calcoloscientifico:softwareapplicativoNEW1:misc | All ]] |
| | |
| |
| |
| ^ Name ^ Version ^ Installation ^ Module ^ note ^ | |
| ^ LIBRERIE ^^^^^ | |
| | gsl | 1.15-13 | rpm | no | https://www.gnu.org/software/gsl/ | | |
| | gsl-gnu-ohpc | 2.2.1 | rpm | gnu gsl | | |
| | boost | 1.53.0 | rpm | no | | |
| | fftw | 3.3.3 | rpm | no | http://www.fftw.org/ | | |
| | lapack | 3.4.2 | rpm | no | http://www.netlib.org/lapack/ | | |
| | scalapack-gnu-openmpi-ohpc | 2.0.2 | rpm | gnu openmpi scalapack | http://www.netlib.org/scalapack/ | | |
| | hdf5 | 1.8.12 | rpm | no | https://support.hdfgroup.org/HDF5/ | | |
| | hdf5-gnu-ohpc | 1.8.17 | rpm | gnu hdf5 | | |
| | phdf5-gnu--openmpi-ohpc | 1.8.17 | rpm | gnu openmpi phdf5 | https://support.hdfgroup.org/HDF5/PHDF5/ | | |
| | atlas | 3.10.1 | rpm | no | | |
| | blas | 3.4.2 | rpm | no | http://www.netlib.org/blas/ | | |
| | openblas | 0.2.19 | rpm | no | http://www.netlib.org/blas/ | | |
| | openblas-gnu-ohpc | 0.2.19 | rpm | gnu openblas | | |
| | gmp | 6.0.0 | rpm | no | https://gmplib.org/ | | |
| | cuDNN | 6.0.21 | nvidia | no | https://developer.nvidia.com/cudnn | | |
| ^ Compilers, Debuggers, Profilers ^^^^^ | |
| | group install "Development Tools” | 4.8.5 | rpm | no | gcc/gfortran/g++ 4.8.5 | | |
| | gnu-compilers-ohpc | 5.4.0 | rpm | gnu | gcc/gfortran/g++ 5.4.0 | | |
| | openmpi-gnu-ohpc | 1.10.4 | rpm | gnu openmpi | | |
| | [[.:priv:cluster:softwareapplicativo:intel | INTEL ]] | 16.0.3 | /hpc/share | intel | https://software.intel.com/en-us/intel-compilers | | |
| | [[.:priv:cluster:softwareapplicativo:intel | INTEL MPI ]] | 5.1.3 | /hpc/share | intel intelmpi | | |
| | [[.:priv:cluster:softwareapplicativo:pgi | PGI ]] | 16.10 Community | /hpc/share | pgi | http://www.pgroup.com/products/community.htm | | |
| | [[.:priv:cluster:softwareapplicativo:pgi | openmpi /PGI ]] | 1.10.2 /PGI2016 | /hpc/share | pgi openmpi | | |
| | CUDA | 8.0.61 | /hpc/share | cuda | https://developer.nvidia.com/about-cuda | | |
| | openjdk | 1.8.0 | rpm | no | java | | |
| | python | 2.7.5 | rpm | no | https://www.python.org/ | | |
| | python | 3.6.3 | | gnu phyton | https://www.python.org/ | | |
| | numpy | 1.7.1 | rpm | no | http://www.numpy.org/ | | |
| | python-numpy-gnu-ohpc | 1.11.1 | rpm | gnu numpy | | |
| | scipy | 0.12.1 | rpm | no | https://www.scipy.org/ | | |
| | python-scipy-gnu-openmpi-ohpc | 0.18.0 | rpm | gnu openmpi scipy | | |
| | gdb | 7.6.1 | rpm | no | GNU Debugger | | |
| | valgrind | 3.11.0 | rpm | no | http://valgrind.org/ | | |
| | valgrind-ohpc | 3.11.0 | rpm | valgrind | | | |
| ^ APPLICATIONS / TOOLS ^^^^^ | |
| | [[.:priv:cluster:softwareapplicativo:Crystal14 ]] | 1.04 | /hpc/share | crystal14/1.0.4 (todo) | | |
| | Matlab | R2011a | /hpc/share | matlab/R2011a | | |
| | Matlab | R2017a | /hpc/share | matlab/R2017a (default) | | |
| | FSDA | | /hpc/share | toolkit di matlab/R2017a | http://www.riani.it/MATLAB/FSDA/index.html| | |
| | Octave | 3.8.2 | rpm | no | https://www.gnu.org/software/octave/ | | |
| | [[.:priv:cluster:softwareapplicativo:R]] | 3.3.3 | module | gnu R_base/3.3.2 | https://www.r-project.org/ | | |
| | [[.:priv:cluster:softwareapplicativo:QE]] | 5.4.0 | rpm | no | http://www.quantum-espresso.org/ | | |
| | [[.:priv:cluster:softwareapplicativo:Gromacs ]] | 4.5.7, 5.1.4 | /hpc/share | no | http://www.gromacs.org/ | | |
| | [[.:priv:cluster:softwareapplicativo:Gaussian ]] | 09, 16 | /hpc/share | | http://gaussian.com/ | | |
| | [[.:priv:cluster:softwareapplicativo:Amber ]] | 11 | /hpc/share | | http://ambermd.org/ | | |
| | [[.:priv:cluster:softwareapplicativo:Schrodinger ]] | 2017 | /hpc/share | | | | |
| | [[.:priv:cluster:softwareapplicativo:Abaqus ]] | 2017, 2018 | /hpc/share | | https://en.wikipedia.org/wiki/Abaqus | | |
| | [[.:priv:cluster:softwareapplicativo:Emboss ]] | 6.6.0 | /hpc/share | | http://emboss.sourgeforge.net | | |
| | [[.:priv:cluster:softwareapplicativo:Itpp ]] | 4.4.1 | /hpc/share | | http://itpp.sourceforge.net | | |
| | [[.:priv:cluster:softwareapplicativo:AutoDock ]] | 4.2.6 | /hpc/share | | | |
| | [[.:priv:cluster:softwareapplicativo:fds ]] | 6.5.3 | /hpc/share | | https://github.com/firemodels/fds/wiki | | |
| | [[.:priv:cluster:softwareapplicativo:sentaurus ]] | 2017.09 | /hpc/share | sentaurus| | | |
| | [[.:priv:cluster:softwareapplicativo: Samtools]] | 1.6 | /hpc/share | |http://www.htslib.org/ | | |
| | [[.:priv:cluster:softwareapplicativo: Star]] | 2.5.3a | /hpc/share | |https://github.com/alexdobin/STAR | | |
| | [[.:priv:cluster:softwareapplicativo: Bedtools ]] | 2.25.0 | /hpc/share | | http://bedtools.readthedocs.io/en/latest/ | | |
| | [[.:priv:cluster:softwareapplicativo: Bowtie ]] | 1.2.2 | /hpc/share | | http://bowtie-bio.sourceforge.net/index.shtml | | |
| | [[.:priv:cluster:softwareapplicativo: Bowtie2 ]] | 2.3.3.1 | /hpc/share | | http://bowtie-bio.sourceforge.net/bowtie2/index.shtml | | |
| | [[.:priv:cluster:softwareapplicativo: tensorflow-gpu ]] | | module | python/3.6.3 cuda gnu | https://www.tensorflow.org | | |
| | [[.:priv:cluster:softwareapplicativo: keras ]] | | module |python/3.6.3 cuda gnu| https://keras.io/ | | |
| | [[.:priv:cluster:softwareapplicativo: qiime ]] | | virtualenv | | http://qiime.org/ | | |
| | [[.:priv:cluster:softwareapplicativo: flash ]] | | module | | | | |
| | [[.:priv:cluster:softwareapplicativo: prinseq ]] | | module | | | | |
| | [[.:priv:cluster:softwareapplicativo: espresso md ]] | | virtualenv | | http://espressomd.org/wordpress/| | |
| | [[.:priv:cluster:softwareapplicativo: namd ]] | | module | | http://www.ks.uiuc.edu/Research/namd/| | |
| | [[.:priv:cluster:softwareapplicativo: plumed ]] | | module | | http://www.plumed.org/| | |
| | [[.:priv:cluster:softwareapplicativo: mpi4py ]] | | rpm ohpc | | | | |
