HPC/Applications: Difference between revisions
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== Applications == | |||
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xcrysden/1/1.5.21-1 | xcrysden/1/1.5.21-1 | ||
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== Development tools == | |||
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Revision as of 16:10, April 14, 2023
This is the catalog for HPC applications on Carbon. Applications are often referred to as modules because they are managed using the Environment Modules package.
Applications
abinit/7/openmpi-1.4 abinit/8.6/impi amber/12/openmpi-1.4 ambertools/12/openmpi-1.4 ase/3.9/3.9.1-1 atk/12/12.8.2-1 atk/2015/2015.1-1 atk/2016/2016.4-1 atk/2017/2017.2-1 atlas/3/intel atomeye/kermode/kermode-2010-1 beef/0/0.1.2-1 boost/1/gcc chargemol/2014/intel chargemol/2015/intel charm/6/openmpi-1.4 comsol/4/4.1-1 comsol/4/4.2-1 comsol/4/4.2a-1 comsol/4/4.3-1 comsol/4/4.3a-1 comsol/4/4.3b-1 comsol/4/4.3b-2 comsol/4/4.4-1 comsol/4/4.4-2 comsol/5/5.0-1 comsol/5/5.1-1 comsol/5/5.2-1 comsol/5/5.2a-1 comsol/5/5.3-1 comsol/5/5.4-1 comsol/5/5.4.0.388-1 comsol/5/5.5.0.359-1 comsol/5/5.6.0.0-1 comsol/6/(default) comsol/6/6.0-1 comsol/6/6.1-1 cp2k/2/openmpi-1.4 cp2k/5.1/impi dacapo/2/openmpi-1.4 ddscat/7/intel epics/3/gcc feff/9.6/impi fftw3/3.3/impi-5 fftw3/3.3/impi fftw3/3.3/intel-19 fftw3/3.3/intel fftw3/3.3/openmpi-1.10 fftw3/3.3/openmpi-1.4 fftw3/3.3/openmpi fox/4/intel garffield/1/openmpi-1.4 gaussian/09/09.D.01.x86_64-3 gaussian/16/16-A.03-1 gaussian/16/16-A.03-2 gaussian/16/16-B.01-1 gaussian/16/16-C.01-1 gaussview/5/5.0.9-1 gaussview/6/6.0.16-1 gnuplot/4.6/4.6.6-1 gnuplot/5.0/5.0.6-1 gnuplot/5.2/5.2.rc1-1 gold/2/(default) gold/2/2.2.0.5-6-EL6 gold/2/2.2.0.5-7 gold/2/2.2.0.5-7a GotoBLAS/1/gcc GotoBLAS/1/intel gpaw-setups/0/0.8.7929 gpaw/0/openmpi-1.4 gsl/1/1.16-1 h5utils/1/gcc harminv/1/intel hdf5/1.10/intel-19 hdf5/1.10/nvhpc-22.5 hdf5/1/intel hdf5/1/openmpi-1.4 hoomd/0/gcc hydra/3/gcc idl/8/8.2.2-1 jdftx/0/gcc-4.9 jmol/13/13.2.8-1 lammps/2012/openmpi-1.4 lammps/2015/impi lammps/2015/openmpi-1.10 lammps/2015/openmpi-1.4 lammps/2020/impi layout-beamer/3/3.3.0beta2_64 libctl/3.2/intel-17 libctl/3/intel libgd/2/intel-18 libint/1/intel libint2/2.0/intel libmatheval/1/gcc libvdwxc/0/impi libvdwxc/0/intel-18 libvdwxc/0/intel-19 libvdwxc/0/intel libxc/1/intel libxc/2/gcc-4.9 libxc/2/intel-15 libxc/2/intel-16 libxc/2/intel-18 libxc/4/intel-18 lumerical/2021/2021-R1-1(default) lumerical/2021/2021-R2-1 lumerical/2021/2021-R2-ansyslm-1 lumerical/2022/2022-R1.4-1 lumerical/2022/2022-R2-2(default) lumerical/2022/2022-R2.1-1 mathematica/10/10.1.0-1 mathematica/11/11.3.0-1 mathematica/12/12.0.0-1 mathematica/12/12.1.1-1 mathematica/12/12.2.0-1 mathematica/13/13.0-1 matlab/R2013a/R2013a-5 matlab/R2013a/R2013a-8 matlab/R2019b/R2019b-1 meep/1/intel meep/1/openmpi-1.4 mesa-gl/6/6.5.2-1 mesa-gl/7/7.2-1 mesa-gl/18/18-1 <aL> molpro/2009/openmpi-1.4 molpro/2012/2012.1.29-4 molpro/2012/2012.1.29-6 molpro/2012/2012.1.29-7 molpro/2012/2012.1.29-8 mpb/1/1.5-4 mpich/3/gcc mumax3/3.10beta/3.10beta-1(default) mumax3/3.10beta/3.10beta-2 mumax3/3.9/3.9.3-1 namd/2/multicore-CUDA namd/2/multicore namd/2/openmpi-1.4 namd/2/TCP namd/2/verbs-smp-CUDA namd/2/verbs-smp namd/2/verbs netcdf/3/gcc netcdf/3/intel nlopt/2/gcc numpy/1/intel nwchem/6/openmpi-1.4 octave/4.0/4.0.3-1 octopus/10.1/impi octopus/10.1/intel octopus/4/intel-18 octopus/4/openmpi-1.4 octopus/9/intel-19 packmol/13/intel periodic_NBO/2012/intel perl/5/5.24.1-2 phonopy/1.10/1.10.8-1 phonopy/1.10/1.10.8-2 povray/3/gcc pwgui/4/4.2-1 q-chem/4.1/4.1.0.1-1 q-chem/5/(default) q-chem/5/5.1.2-1 q-chem/5/5.2.1-1 q-chem/5/5.3-3 q-chem/5/5.3.1-1 q-chem/6/6.0-1 quantum-espresso/4/openmpi-1.4 quantum-espresso/5.4/openmpi-1.10 rasmol/2.6/2.6.4-foc-1 rasmol/2.7/2.7.5-1 readline/6/6.2-1 rings/1.2/intel rings/1.2/openmpi-1.4 rings/1.3/intel rings/1/intel rings/1/openmpi-1.4 ScientificPython/2/intel scipy/0/openmpi-1.4 siesta/3/openmpi-1.4 siesta/4.0/impi-5 siesta/4.1-b2/impi-5 siesta/4.1-b2/impi siesta/4.1/impi-5 sparta/2020-07-06/impi spglib/1/gcc vasp-vtst/4/openmpi-1.4 vasp-vtstscripts/2012/2012-11-11-1 vasp-vtstscripts/926/926-1 vasp/4.6/openmpi-1.4 vasp5/5.3-scan/impi-5 vasp5/5.3-scan/openmpi-1.10 vasp5/5.3/impi-5 vasp5/5.3/openmpi-1.10 vasp5/5.3/openmpi-1.4 vasp5/5.4-z2pack/impi-5 vasp5/5.4-z2pack/openmpi-1.10 vasp5/5.4/(default) vasp5/5.4/impi-2019 vasp5/5.4/impi-5 vasp5/5.4/openmpi-1.10 vasp6/6.3/impi vasp6/6.3/nvhpc vesta/3/3.2.1-1 vmd/1/1.9.1-2 voro++/0/intel vtk/5/intel wannier90/1-z2pack/1.2-z2pack-1 wannier90/1/1.2-1 wannier90/1/1.2-2 wannier90/2/impi-5 wannier90/2/openmpi-1.10 wannier90/3/impi wannier90/3/intel wannier90/3/nvhpc-parallel wannier90/3/nvhpc wien2k/09/intel wien2k/14.2/impi-5 xcrysden/1/1.5.21-1
Development tools
impi/4 impi/5 impi/2017 impi/2018 impi/2019 impi/2021 intel/11 intel/12 intel/13 intel/14 intel/15 intel/16 intel/17 intel/18 intel/19 intel/2021 gcc/4.4/4.4.7 gcc/4.9/4.9.3-1 gcc/6.4/6.4.0-1 gcc/7.3/7.3.0-1 gcc/8.2/8.2.0-1 gcc/8.5/(default) gcc/8.5/8.5.0-1 gcc/11.1/11.1.0-1 glibc/2.23/2.23-1 nvhpc-byo-compiler/22.5 nvhpc-nompi/22.5 nvhpc/22.5 openmpi/1.4 openmpi/1.6 openmpi/1.8 openmpi/1.10 java/1.7/1.7.0_25-fcs python-anaconda/2.7/(default) python-anaconda/2.7/4 python-anaconda/3.5/4 python-centos/2.6/gcc-4.4 python-centos/2.7/gcc-4.8 python-env-anaconda/2.7/(default) python-env-anaconda/2.7/4 python-env-anaconda/3.5/4 python-env-intel/2.7/(default) python-env-intel/2.7/2017 python-env-intel/2.7/2018 python-env-intel/3.5/2017 python-env-intel/3.6/2018 python-intel/2.7/(default) python-intel/2.7/2015 python-intel/2.7/2017 python-intel/2.7/2018 python-intel/3.5/2015 python-intel/3.5/2017 python-intel/3.6/2018 python/2.7/(default) python/2.7/gcc-4.1 python/2.7/gcc-4.4 python/3.5/gcc-4.4