HPC/Applications: Difference between revisions
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= Application pages = | |||
Consult specific help pages for the following applications: | |||
* [[HPC/Applications/vasp|VASP]] | |||
* [[HPC/Applications/comsol|COMSOL]] | |||
= Modules = | = Modules = | ||
Revision as of 15:04, October 17, 2024
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.
Application pages
Consult specific help pages for the following applications:
Modules
Applications
abinit/7/openmpi-1.4/intel/7.4.2-1 abinit/7/openmpi-1.4/intel/7.4.2-10 abinit/8.6/impi/intel/8.6.3-1 amber/12/openmpi-1.4/intel/12.0-5 ambertools/12/openmpi-1.4/intel/12.0-5 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/3.8.0-4 atomeye/kermode/kermode-2010-1 beef/0/0.1.2-1 boost/1/gcc/1.47.0-1 chargemol/2014/intel/2014-09-14-2 chargemol/2015/intel/2015-06-28-1 charm/6/openmpi-1.4/intel/6.0-mpi-linux-x86_64-ifort-mpicxx-1 charm/6/openmpi-1.4/intel/6.0-mpi-linux-x86_64-ifort-smp-mpicxx-1 charm/6/openmpi-1.4/intel/6.1b-2009-04-02-mpi-linux-x86_64-ifort-mpicxx-1 charm/6/openmpi-1.4/intel/6.4.0-mpi-linux-x86_64-ifort-mpicxx-1 charm/6/openmpi-1.4/intel/6.4.0-mpi-linux-x86_64-ifort-smp-mpicxx-1 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/ comsol/6/6.0-1 comsol/6/6.1-1 comsol/6/6.2-1 cp2k/2/openmpi-1.4/intel/2.2-4 cp2k/5.1/impi/intel/5.1 dacapo/2/openmpi-1.4/intel/2.7.15-ifort-5 ddscat/7/intel/7.2.2-3 epics/3/gcc/3.15.0.1-1 feff/9.6/impi/intel/9.6.4-1 fftw3/3.3/impi-5/intel-16/3.3.4-10 fftw3/3.3/impi/intel-19/3.3.8-1 fftw3/3.3/impi/intel-19/3.3.8-2 fftw3/3.3/intel-19/3.3.10-1 fftw3/3.3/intel-19/3.3.8-1 fftw3/3.3/intel-19/3.3.8-2 fftw3/3.3/intel/3.3.2-1 fftw3/3.3/openmpi-1.10/ fftw3/3.3/openmpi-1.10/intel-16/3.3.4-11 fftw3/3.3/openmpi-1.4/intel/3.3.2-4 fftw3/3.3/openmpi/intel-19/3.3.8-1 fox/4/intel/4.1.2-1 garffield/1/openmpi-1.4/intel/1.0-1 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 gnuplot/5.4/5.4.9-1 GotoBLAS/1/gcc/1.26-gfortran-1 GotoBLAS/1/gcc/1.26-gfortran-smp-1 GotoBLAS/1/intel/1.26-intel-1 GotoBLAS/1/intel/1.26-intel-smp-1 gpaw-setups/0/0.8.7929 gpaw/0/openmpi-1.4/intel/0.9.0-gcc-3 gsl/1/1.16-1 h5utils/1/gcc/1.12.1-3 harminv/1/intel/1.3.1-mkl-4 harminv/1/intel/1.3.1-netlib-4 hdf5/1.10/intel-19/1.10.8-3 hdf5/1.10/nvhpc-22.5/1.10.8-3 hdf5/1/intel/1.8.13-intel11-serial hdf5/1/intel/1.8.13-intel12-serial hdf5/1/openmpi-1.4/ hdf5/1/openmpi-1.4/intel/1.8.13-intel11-parallel hdf5/1/openmpi-1.4/intel/1.8.13-intel12-parallel hoomd/0/gcc/0.11.3 hydra/3/gcc/3.1.2-2 idl/8/8.2.2-1 jdftx/0/gcc-4.9/0.99-svn1205-1 jdftx/0/gcc-4.9/0.99-svn1205-2 jmol/13/13.2.8-1 lammps/2012/openmpi-1.4/intel/2012-02-12-parallel-jr-11 lammps/2015/impi/intel-19/2015-05-15-5 lammps/2015/openmpi-1.10/ lammps/2015/openmpi-1.10/intel-16/2015-05-15-4 lammps/2015/openmpi-1.4/intel/2015-05-15-1 lammps/2015/openmpi-1.4/intel/2015-05-15-2 lammps/2015/openmpi-1.4/intel/2015-05-15-3 lammps/2020/impi/intel-19/2020-11-30-02 lammps/2023-11-21-gpu/impi/2021/intel-2021/2023-11-21-01-gpu lammps/2023-11-21/impi/2021/intel-2021/2023-11-21-01 lammps/2023-gpu/impi/2021/intel-2021/2023-03-28-03-gpu lammps/2023/ lammps/2023/impi/2021/intel-2021/2023-03-28-03 layout-beamer/3/3.3.0beta2_64 libctl/3.2/intel-17/3.2.2-2 libctl/3/intel/3.0.3-5 libgd/2/intel-18/2.2.5-1 libint/1/intel/1.1.4-1 libint2/2.0/intel/2.0.0-2 libint2/2.0/intel/2.0.5-1 libint2/2.0/intel/2.0.5-3 libmatheval/1/gcc/1.1.7-3 libvdwxc/0/impi/intel-18/0.4.0-1 libvdwxc/0/impi/intel-19/0.4.0-2 libvdwxc/0/intel-18/0.4.0-2 libvdwxc/0/intel-19/0.4.0-2 libvdwxc/0/intel/0.4.0-3 libxc/1/intel/1.1.0-1 libxc/2/gcc-4.9/2.2.2-2 libxc/2/gcc-4.9/2.2.2-3 libxc/2/intel-15/2.2.2-2 libxc/2/intel-15/2.2.2-3 libxc/2/intel-16/2.2.2-3 libxc/2/intel-18/2.2.2-4 libxc/4/intel-18/4.3.4-0 libxc/4/intel-18/4.3.4-1 lumerical-DEVICE/6/6.0.1255-1 lumerical-DEVICE/7 lumerical-DEVICE/7/7.1.1541-1 lumerical-DEVICE/7/7.2.1731-1 lumerical-DEVICE/7/7.3.1906-1 lumerical-FDTD/8 lumerical-FDTD/8/8.18.1365-1 lumerical-FDTD/8/8.19.1541-1 lumerical-FDTD/8/8.20.1731-1 lumerical-FDTD/8/8.21.1906-1 lumerical-INTERCONNECT/7/7.0.1365-1 lumerical-INTERCONNECT/7/7.5.1541-1 lumerical-INTERCONNECT/8 lumerical-INTERCONNECT/8/8.0.1731-1 lumerical-INTERCONNECT/8/8.5.1906-1 lumerical-MODE/7 lumerical-MODE/7/7.10.1365-1 lumerical-MODE/7/7.11.1541-1 lumerical-MODE/7/7.12.1731-1 lumerical-MODE/7/7.13.1906-1 lumerical/2019b/2019b-r3-1 lumerical/2020/2020-R2.1-1 lumerical/2020/2020-R2.4-1 lumerical/2020a/2020a-r3-1 lumerical/2020a/2020a-r5-1 lumerical/2021/2021-R1-1 lumerical/2021/2021-R2-1 lumerical/2021/2021-R2-ansyslm-1 lumerical/2022/ lumerical/2022/2022-R1.4-1 lumerical/2022/2022-R2-2 lumerical/2022/2022-R2.1-1 lumerical/2023/2023-R2.1-1 lumerical/2024/2024-R1.1-1 lumerical/7/7.5.7-1 lumerical/8/8.11.422-1 lumerical/8/8.15.736-1 lumerical/8/8.16.931-1 lumerical/8/8.16.931-1a 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 mathematica/13/13.3.1-1 matlab/R2013a/R2013a-5 matlab/R2013a/R2013a-8 matlab/R2019b/R2019b-1 meep/1/intel/1.1.1-serial-1 meep/1/openmpi-1.4/ meep/1/openmpi-1.4/intel/1.1.1-parallel-1 meep/1/openmpi-1.4/intel/1.3-parallel-1 mesa-gl/18/18-1 mesa-gl/6/6.5.2-1 mesa-gl/7/7.2-1 moab/6/6.1.12-1 molpro/2009/openmpi-1.4/intel/2009.1-1 molpro/2009/openmpi-1.4/intel/2009.1-2 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 mumax3/3.10beta/3.10beta-1 mumax3/3.10beta/3.10beta-2 mumax3/3.9/3.9.3-1 namd/2/multicore-CUDA/2.13-1 namd/2/multicore/2.13-1 namd/2/openmpi-1.4/intel/2.9-MPI-icc-4 namd/2/openmpi-1.4/intel/2.9plus-MPI-icc-3 namd/2/TCP/2.13-1 namd/2/verbs-smp-CUDA/2.13-1 namd/2/verbs-smp/ namd/2/verbs-smp/2.13-1 namd/2/verbs/2.13-1 netcdf/3/gcc/3.6.3-gfortran-5 netcdf/3/intel/3.6.3-intel11-5 nlopt/2/gcc/2.4.1-1 numpy/1/intel/1.6.1-5 nwchem/6/openmpi-1.4/intel/6.5-1 octave/4.0/4.0.3-1 octopus/10.1/impi/intel/10.1-1 octopus/10.1/intel/10.1-1 octopus/4/intel-18/ octopus/4/intel-18/4.0.1-9 octopus/4/openmpi-1.4/intel/4.0.1-8 octopus/9/intel-19/9.1-5 packmol/13/intel/13.243-1 periodic_NBO/2012/intel/2012-11-14-1 phonopy/1.10/1.10.8-1 phonopy/1.10/1.10.8-2 povray/3/gcc/3.7.0.RC3-1 povray/3/gcc/3.7.0.RC3-2 pwgui/4/4.2-1 q-chem/4.1/4.1.0.1-1 q-chem/5/ 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/intel/4.3.2-2 quantum-espresso/5.4/openmpi-1.10/intel-16/5.4.0-1 quantum-espresso/7.3/impi-2019/intel-19/7.3-4 quantum-espresso/7.3/impi-2021/intel-2021/7.3-1 quantum-espresso/7.3/impi-2021/intel-2021/7.3-2 quantum-espresso/7.3/impi-2021/intel-2021/7.3-3 quantum-espresso/7.3/impi-2021/intel-2021/7.3-5 quantum-espresso/7.3/impi-2021/intel-2021/7.3-6 quantum-espresso/7.3/openmpi-1.8/gcc/gcc-8.5/7.3-7 quip/0.9.14/intel-2021/0.9.14-01 rasmol/2.6/2.6.4-foc-1 rasmol/2.7/2.7.5-1 readline/6/6.2-1 rings/1.2/intel/1.3.3-1 rings/1.2/openmpi-1.4/intel/1.2.3-1 rings/1.3/intel/1.3.3-1 rings/1/intel/1.3.3-1 rings/1/openmpi-1.4/intel/1.2.3-1 ScientificPython/2/intel/2.8-1 scipy/0/openmpi-1.4/gcc/0.9.0-1 scipy/0/openmpi-1.4/intel/0.10.0-1 siesta/3/openmpi-1.4/intel/3.2-1 siesta/4.0/impi-5/intel-16/4.0-1 siesta/4.1-b2/impi-5/intel-16/4.1-b2-1 siesta/4.1-b2/impi-5/intel-16/4.1-b2-2 siesta/4.1-b2/impi/intel/4.1-b2-3 siesta/4.1/impi-5/intel-16/4.1-b2-1 siesta/4.1/impi-5/intel-16/4.1-b2-2 slurm/19.05/19.05.1-5 slurm/19.05/19.05.1-6 sparta/2020-07-06/impi/intel/2020-07-06-1 spglib/1/gcc/1.6.4 stress-ng/0/0.08.18-1 stress/1/1.0.4-1 vasp-vtst/4/openmpi-1.4/intel/4.6.35-mkl-12 vasp-vtstscripts/2012/2012-11-11-1 vasp-vtstscripts/926/926-1 vasp/4.6/openmpi-1.4/intel/4.6.35-mkl-13 vasp/4.6/openmpi-1.4/intel/4.6.35-mkl-nozheevx-8 vasp/4.6/openmpi-1.4/intel/4.6.36-mkl-4 vasp5/5.3-scan/impi-5/intel-16/5.3.5-scan-1 vasp5/5.3-scan/openmpi-1.10/intel-16/5.3.5-scan-1 vasp5/5.3/impi-5/intel-16/5.3.5-2 vasp5/5.3/openmpi-1.10/ vasp5/5.3/openmpi-1.10/intel-16/5.3.5-1 vasp5/5.3/openmpi-1.4/intel/5.3.2-mkl-beef-1 vasp5/5.3/openmpi-1.4/intel/5.3.3p3-mkl-3 vasp5/5.3/openmpi-1.4/intel/5.3.3p3-mkl-cellz-1 vasp5/5.4-z2pack/impi-5/intel-16/5.4.1.3-z2pack-1 vasp5/5.4-z2pack/impi-5/intel-16/5.4.1.3-z2pack-2 vasp5/5.4-z2pack/openmpi-1.10/intel-16/5.4.1.3-z2pack-1 vasp5/5.4/ vasp5/5.4/impi-2019/intel-19/5.4.4.pl2-2 vasp5/5.4/impi-5/ vasp5/5.4/impi-5/intel-16/5.4.1.3-10 vasp5/5.4/impi-5/intel-16/5.4.1.3-11 vasp5/5.4/impi-5/intel-16/5.4.1.3-6 vasp5/5.4/impi-5/intel-16/5.4.1.3-8 vasp5/5.4/impi-5/intel-16/5.4.1.3-9 vasp5/5.4/openmpi-1.10/intel-16/5.4.1.3-10 vasp5/5.4/openmpi-1.10/intel-16/5.4.1.3-11 vasp5/5.4/openmpi-1.10/intel-16/5.4.1.3-6 vasp5/5.4/openmpi-1.10/intel-16/5.4.1.3-8 vasp5/5.4/openmpi-1.10/intel-16/5.4.1.3-9 vasp6/6.3/impi/ vasp6/6.3/impi/2019/intel/19/6.3.2-5 vasp6/6.3/nvhpc/22.5/6.3.2-6 vasp6/6.3/nvhpc/22.5/6.3.2-7 vesta/3/3.2.1-1 vmd/1/1.9.1-2 voro++/0/intel/0.4.5-1 vtk/5/intel/5.0.4-icc-3 wannier90/1-z2pack/1.2-z2pack-1 wannier90/1/1.2-1 wannier90/1/1.2-2 wannier90/2/impi-5/intel-16/2.0.1-3 wannier90/2/openmpi-1.10/intel-16/2.0.1-3 wannier90/3/impi/intel/19/3.1.0-1 wannier90/3/intel/19/3.1.0-1 wannier90/3/nvhpc-parallel/nvhpc/22.5/3.1.0-1 wannier90/3/nvhpc/22.5/3.1.0-1 wien2k/09/intel/09.2-1 wien2k/14.2/impi-5/intel-16/14.2-7 xcrysden/1/1.5.21-1
Development tools
cmake/3.18/3.18.2-1 cuda/9/9.2 cuda/10/10.2 cuda/11/11.6 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/ gcc/8.5/8.5.0-1 gcc/11.1/11.1.0-1 glibc/2.23/2.23-1 impi/4/4.1.3 impi/5/5.0.3 impi/5/5.1.1 impi/5/5.1.1-3 impi/5/5.1.2-2 impi/5/5.1.3 impi/2017/2017.Build.20160721 impi/2017/2017.Update.2 impi/2017/2017.Update.3 impi/2017/2017.Update.4 impi/2018/2018.Update.1 impi/2018/2018.Update.1-2 impi/2018/2018.Update.2 impi/2018/2018.Update.3 impi/2019/ impi/2019/2019.Update.5 intel/11/11.1.073 intel/12/12.1.6 intel/13/13.1.3 intel/14/14.0.4 intel/15/15.0.2 intel/15/15.0.3 intel/15/15.0.4 intel/16/16.0.0-0 intel/16/16.0.0-1 intel/16/16.0.0-3 intel/16/16.0.1-2 intel/16/16.0.2 intel/16/16.0.3 intel/19/ intel/19/19.1.3 intel/2021/2021.4.0 intel/2021/2021.4.0.orig intel/17/17.0.0 intel/17/17.0.3 intel/17/17.0.4 intel/17/17.0.5 intel/17/17.0.6 intel/18/18.0.1 intel/18/18.0.1-1 intel/18/18.0.1-2 intel/18/18.0.2 intel/18/18.0.2-2 intel/18/18.0.3 intel/18/18.0.3-2 intel/19/ intel/19/19.0.5 java/1.7/1.7.0_25-fcs mpich/3/gcc/3.1.2-2 nvhpc-byo-compiler/22.5 nvhpc-nompi/22.5 nvhpc/22.5 openmpi/1.4/gcc/1.4.5-gcc-2 openmpi/1.4/intel/1.4.5-intel11-1 openmpi/1.4/intel/1.4.5-intel11-2 openmpi/1.4/intel/1.4.5-intel12-1 openmpi/1.4/intel/1.4.5-intel12-2 openmpi/1.6/gcc/1.6.5-gcc-1 openmpi/1.6/intel/1.6.5-intel11-1 openmpi/1.6/intel/1.6.5-intel12-1 openmpi/1.8/gcc-4.4/1.8.8-7 openmpi/1.8/gcc/1.8.8-7 openmpi/1.8/intel-15/1.8.8-7 openmpi/1.8/intel-16/1.8.8-7 openmpi/1.8/intel/1.8.8-7 openmpi/1.10/gcc-4.4/1.10.0-4 openmpi/1.10/gcc-4.4/1.10.1-1 openmpi/1.10/gcc-4.4/1.10.1-2 openmpi/1.10/gcc-4.4/1.10.2-1 openmpi/1.10/gcc-4.4/1.10.3-1 openmpi/1.10/gcc-4.4/1.10.7-2 openmpi/1.10/gcc-4.4/1.10.7-3 openmpi/1.10/gcc-4.9/1.10.0-4 openmpi/1.10/gcc-4.9/1.10.1-1 openmpi/1.10/gcc-4.9/1.10.1-2 openmpi/1.10/gcc-4.9/1.10.2-1 openmpi/1.10/gcc-4.9/1.10.3-1 openmpi/1.10/gcc-4.9/1.10.7-2 openmpi/1.10/gcc-4.9/1.10.7-3 openmpi/1.10/gcc/1.10.0-4 openmpi/1.10/gcc/1.10.1-1 openmpi/1.10/gcc/1.10.1-2 openmpi/1.10/gcc/1.10.2-1 openmpi/1.10/intel-15/1.10.0-4 openmpi/1.10/intel-15/1.10.1-1 openmpi/1.10/intel-15/1.10.1-2 openmpi/1.10/intel-15/1.10.2-1 openmpi/1.10/intel-15/1.10.3-1 openmpi/1.10/intel-16/1.10.0-4 openmpi/1.10/intel-16/1.10.1-1 openmpi/1.10/intel-16/1.10.1-2 openmpi/1.10/intel-16/1.10.2-1 openmpi/1.10/intel-16/1.10.3-1 openmpi/1.10/intel-17/1.10.7-2 openmpi/1.10/intel-17/1.10.7-3 openmpi/1.10/intel/1.10.0-4 openmpi/1.10/intel/1.10.1-1 openmpi/1.10/intel/1.10.1-2 openmpi/1.10/intel/1.10.2-1 perl/5/5.24.1-2 python-anaconda/2.7/ python-anaconda/2.7/4/2.7.11-4.0.0-2 python-anaconda/3.5/4/3.5.1-4.0.0-2 python-centos/2.6/gcc-4.4/2.6.6 python-centos/2.7/gcc-4.8/2.7.5 python-env-anaconda/2.7/ python-env-anaconda/2.7/4/2.7.11-09 python-env-anaconda/3.5/4/3.5.1-09 python-env-intel/2.7/ python-env-intel/2.7/2017/2.7-001 python-env-intel/2.7/2017/2.7-004 python-env-intel/2.7/2017/2.7-01 python-env-intel/2.7/2018/2.7-01 python-env-intel/2.7/2018/2.7-03 python-env-intel/3.5/2017/3.5-001 python-env-intel/3.5/2017/3.5-004 python-env-intel/3.5/2017/3.5-01 python-env-intel/3.6/2018/3.6-01 python-env-intel/3.6/2018/3.6-03 python-intel/2.7/ python-intel/2.7/ python-intel/2.7/2015/2.7.20150803_184913 python-intel/2.7/2017/2.7.12 python-intel/2.7/2017/2.7.13-2017.3.053-1 python-intel/2.7/2018/2.7.14-2018.1.023-1 python-intel/2.7/2018/2.7.14-2018.3.039-1 python-intel/3.5/2015/3.5.20150803_185146 python-intel/3.5/2017/3.5.2 python-intel/3.5/2017/3.5.3-2017.3.052-1 python-intel/3.6/2018/3.6.3-2018.1.023-1 python-intel/3.6/2018/3.6.3-2018.3.039-1 python/2.7/ python/2.7/gcc-4.1/2.7.3-1 python/2.7/gcc-4.4/2.7.11-1 python/3.5/gcc-4.4/3.5.1-1