calcoloscientifico:softwareapplicativonew1
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Software List
Environment Software (libraries): Library
Environment Software ( compilers, Debuggers, Profilers): Compilers, Debuggers, Profilers
Application/tools (Chemistry) Chemistry
Application/tools (Physics) physics
Application/tools (Math) math
Application/tools ( Eng.) eng
Application/tools ( FOOD-Drug) food-drug
Application/tools ( Miscellanous) Miscellanous
| Name | Version | Installation | Module | note |
|---|---|---|---|---|
| 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 | |
| INTEL | 16.0.3 | /hpc/share | intel | https://software.intel.com/en-us/intel-compilers |
| INTEL MPI | 5.1.3 | /hpc/share | intel intelmpi | |
| PGI | 16.10 Community | /hpc/share | pgi | http://www.pgroup.com/products/community.htm |
| 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 | ||||
| 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/ |
| R | 3.3.3 | module | gnu R_base/3.3.2 | https://www.r-project.org/ |
| QE | 5.4.0 | rpm | no | http://www.quantum-espresso.org/ |
| Gromacs | 4.5.7, 5.1.4 | /hpc/share | no | http://www.gromacs.org/ |
| Gaussian | 09, 16 | /hpc/share | http://gaussian.com/ | |
| Amber | 11 | /hpc/share | http://ambermd.org/ | |
| Schrodinger | 2017 | /hpc/share | ||
| Abaqus | 2017, 2018 | /hpc/share | https://en.wikipedia.org/wiki/Abaqus | |
| Emboss | 6.6.0 | /hpc/share | http://emboss.sourgeforge.net | |
| Itpp | 4.4.1 | /hpc/share | http://itpp.sourceforge.net | |
| AutoDock | 4.2.6 | /hpc/share | ||
| fds | 6.5.3 | /hpc/share | https://github.com/firemodels/fds/wiki | |
| sentaurus | 2017.09 | /hpc/share | sentaurus | |
| Samtools | 1.6 | /hpc/share | http://www.htslib.org/ | |
| Star | 2.5.3a | /hpc/share | https://github.com/alexdobin/STAR | |
| Bedtools | 2.25.0 | /hpc/share | http://bedtools.readthedocs.io/en/latest/ | |
| Bowtie | 1.2.2 | /hpc/share | http://bowtie-bio.sourceforge.net/index.shtml | |
| Bowtie2 | 2.3.3.1 | /hpc/share | http://bowtie-bio.sourceforge.net/bowtie2/index.shtml | |
| tensorflow-gpu | module | python/3.6.3 cuda gnu | https://www.tensorflow.org | |
| keras | module | python/3.6.3 cuda gnu | https://keras.io/ | |
| qiime | virtualenv | http://qiime.org/ | ||
| flash | module | |||
| prinseq | module | |||
| espresso md | virtualenv | http://espressomd.org/wordpress/ | ||
| namd | module | http://www.ks.uiuc.edu/Research/namd/ | ||
| plumed | module | http://www.plumed.org/ | ||
| mpi4py | rpm ohpc | |||
calcoloscientifico/softwareapplicativonew1.1543327233.txt.gz · Ultima modifica: 27/11/2018 15:00 da roberto.alfieri