HPC/Applications: Difference between revisions

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__NOTOC__
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= Local documentation =
Documentation about local installation and usage is available for some applications and development packages.


= Application pages =
You can also locate those pages by using the "Search CNM Wiki" box near the top of the current page.
Consult specific help pages for the following applications:
* [[HPC/Applications/vasp|VASP]]
* [[HPC/Applications/comsol|COMSOL]]


= Modules =
== Applications ==
<div style="column-count:2">
* [[HPC/Applications/vasp                  | VASP]]
* [[HPC/Applications/lammps                | LAMMPS]]
* [[HPC/Applications/g09                    | Gaussian]]
* [[HPC/Applications/q-chem                | Q-Chem]]
* [[HPC/Applications/quantum-espresso      | Quantum-ESPRESSO]]
* [[HPC/Applications/cp2k                  | CP2K]]
* [[HPC/Applications/nwchem                | NW-Chem]]
* [[HPC/Applications/namd                  | NAMD]]
* [[HPC/Applications/atk                    | ATK]]
* [[HPC/Applications/jmol                  | JMol]]
* [[HPC/Applications/meep                  | MEEP]]
* [[HPC/Applications/comsol                | COMSOL]]
* [[HPC/Applications/lumerical              | Lumerical]]
</div>
 
== Development tools ==
<div style="column-count:2">
* [[HPC/Applications/matlab                | MATLAB]]
* [[HPC/Applications/python                | Python]]
* [[HPC/Applications/cuda                  | CUDA]]
* [[HPC/Applications/fftw3                  | FFTW3]]
* [[HPC/Applications/impi                  | Intel MPI]]
* [[HPC/Applications/openmpi                | OpenMPI]]
* [[HPC/Applications/mkl                    | Intel MKL]]
</div>
 
= Module Overview =
<!-- {{Catalog Modules}} -->
<!-- {{Catalog Modules}} -->
The module catalog with ''abbreviated version numbers'' is given below.
You can access this catalog on ''Carbon'' itself using the following commands to
show all available modules,
one-line summaries,
and longer descriptions (usually with copyrights and links),
respectively:
module avail [''name'']
module whatis [''name'']
module help ''name''
* To use these modules, you must specifically "load" them, possibly down to a specific version, see [[HPC/Module Setup | '''Module setup instructions''']].
<!-- * An exception are a handful of basic modules that are pre-loaded when you log in. -->
* See also the man page for the module command (<code>man module</code>).


== Applications ==
== Applications ==
<div style="column-count:2">
<div style="column-count:2">
<pre>
<pre>
abinit/7/openmpi-1.4/intel/7.4.2-1
abinit/7
abinit/7/openmpi-1.4/intel/7.4.2-10
abinit/8.6
abinit/8.6/impi/intel/8.6.3-1
amber/12
amber/12/openmpi-1.4/intel/12.0-5
ambertools/12
ambertools/12/openmpi-1.4/intel/12.0-5
ase/3.9/3.9.1-1
ase/3.9/3.9.1-1
atk/12/12.8.2-1
atk/12
atk/2015/2015.1-1
atk/2015
atk/2016/2016.4-1
atk/2016
atk/2017/2017.2-1
atk/2017
atlas/3/intel/3.8.0-4
atlas/3/intel
atomeye/kermode/kermode-2010-1
atomeye/kermode


beef/0/0.1.2-1
beef/0/0.1.2-1
boost/1/gcc/1.47.0-1
boost/1/gcc
 
chargemol/2014
chargemol/2015
charm/6
comsol/4
comsol/5
comsol/6
cp2k/2/openmpi-1.4
cp2k/5.1/impi


chargemol/2014/intel/2014-09-14-2
dacapo/2/openmpi-1.4
chargemol/2015/intel/2015-06-28-1
ddscat/7/intel
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
epics/3/gcc
ddscat/7/intel/7.2.2-3


epics/3/gcc/3.15.0.1-1
feff/9.6/impi
fftw3/3.3/impi
fftw3/3.3/intel
fftw3/3.3/openmpi
fox/4/intel


feff/9.6/impi/intel/9.6.4-1
garffield/1/openmpi-1.4
fftw3/3.3/impi-5/intel-16/3.3.4-10
gaussian/09
fftw3/3.3/impi/intel-19/3.3.8-1
gaussian/16
fftw3/3.3/impi/intel-19/3.3.8-2
gaussview/5
fftw3/3.3/intel-19/3.3.10-1
gaussview/6
fftw3/3.3/intel-19/3.3.8-1
gnuplot/4.6
fftw3/3.3/intel-19/3.3.8-2
gnuplot/5.0
fftw3/3.3/intel/3.3.2-1
gnuplot/5.2
fftw3/3.3/openmpi-1.10/
gnuplot/5.4
fftw3/3.3/openmpi-1.10/intel-16/3.3.4-11
GotoBLAS/1
fftw3/3.3/openmpi-1.4/intel/3.3.2-4
gpaw-setups/0
fftw3/3.3/openmpi/intel-19/3.3.8-1
gpaw/0
fox/4/intel/4.1.2-1
gsl/1


garffield/1/openmpi-1.4/intel/1.0-1
h5utils/1
gaussian/09/09.D.01.x86_64-3
harminv/1
gaussian/16/16-A.03-1
hdf5/1.10/intel-19
gaussian/16/16-A.03-2
hdf5/1.10/nvhpc-22.5
gaussian/16/16-B.01-1
hoomd/0/gcc
gaussian/16/16-C.01-1
hydra/3/gcc
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
idl/8
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
jmol/13


jdftx/0/gcc-4.9/0.99-svn1205-1
lammps/2012
jdftx/0/gcc-4.9/0.99-svn1205-2
lammps/2015
jmol/13/13.2.8-1
lammps/2020
lammps/2023-11-21-gpu
lammps/2023-11-21


lammps/2012/openmpi-1.4/intel/2012-02-12-parallel-jr-11
layout-beamer/3
lammps/2015/impi/intel-19/2015-05-15-5
libctl/3.2
lammps/2015/openmpi-1.10/
libctl/3
lammps/2015/openmpi-1.10/intel-16/2015-05-15-4
libgd/2
lammps/2015/openmpi-1.4/intel/2015-05-15-1
libint/1
lammps/2015/openmpi-1.4/intel/2015-05-15-2
libint2/2.0
lammps/2015/openmpi-1.4/intel/2015-05-15-3
libmatheval/1
lammps/2020/impi/intel-19/2020-11-30-02
libvdwxc/0
lammps/2023-11-21-gpu/impi/2021/intel-2021/2023-11-21-01-gpu
libxc/1
lammps/2023-11-21/impi/2021/intel-2021/2023-11-21-01
libxc/2
lammps/2023-gpu/impi/2021/intel-2021/2023-03-28-03-gpu
libxc/4
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/6
lumerical-DEVICE/7
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
lumerical-FDTD/8/8.18.1365-1
lumerical-INTERCONNECT/7
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
lumerical-INTERCONNECT/8/8.0.1731-1
lumerical-INTERCONNECT/8/8.5.1906-1
lumerical-MODE/7
lumerical-MODE/7
lumerical-MODE/7/7.10.1365-1
lumerical/2019b
lumerical-MODE/7/7.11.1541-1
lumerical/2020
lumerical-MODE/7/7.12.1731-1
lumerical/2020a
lumerical-MODE/7/7.13.1906-1
lumerical/2021
lumerical/2019b/2019b-r3-1
lumerical/2022
lumerical/2020/2020-R2.1-1
lumerical/2023
lumerical/2020/2020-R2.4-1
lumerical/2024
lumerical/2020a/2020a-r3-1
lumerical/7
lumerical/2020a/2020a-r5-1
lumerical/8
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/10
mathematica/11/11.3.0-1
mathematica/11
mathematica/12/12.0.0-1
mathematica/12
mathematica/12/12.1.1-1
mathematica/13
mathematica/12/12.2.0-1
matlab/R2013a
mathematica/13/13.0-1
matlab/R2019b
mathematica/13/13.3.1-1
meep/1
matlab/R2013a/R2013a-5
mesa-gl/18
matlab/R2013a/R2013a-8
mesa-gl/6
matlab/R2019b/R2019b-1
mesa-gl/7
meep/1/intel/1.1.1-serial-1
moab/6
meep/1/openmpi-1.4/
molpro/2009
meep/1/openmpi-1.4/intel/1.1.1-parallel-1
molpro/2012
meep/1/openmpi-1.4/intel/1.3-parallel-1
mpb/1
mesa-gl/18/18-1
mumax3/3.10beta
mesa-gl/6/6.5.2-1
mumax3/3.9
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
namd/2/multicore/2.13-1
netcdf/3
namd/2/openmpi-1.4/intel/2.9-MPI-icc-4
nlopt/2
namd/2/openmpi-1.4/intel/2.9plus-MPI-icc-3
numpy/1
namd/2/TCP/2.13-1
nwchem/6
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
octave/4.0
octopus/10.1/impi/intel/10.1-1
octopus/4
octopus/10.1/intel/10.1-1
octopus/9
octopus/4/intel-18/
octopus/10.1
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
packmol/13
periodic_NBO/2012/intel/2012-11-14-1
periodic_NBO/2012
phonopy/1.10/1.10.8-1
phonopy/1.10
phonopy/1.10/1.10.8-2
povray/3
povray/3/gcc/3.7.0.RC3-1
pwgui/4
povray/3/gcc/3.7.0.RC3-2
pwgui/4/4.2-1


q-chem/4.1/4.1.0.1-1
q-chem/4.1
q-chem/5/
q-chem/5
q-chem/5/5.1.2-1
q-chem/6
q-chem/5/5.2.1-1
quantum-espresso/4
q-chem/5/5.3-3
quantum-espresso/5.4
q-chem/5/5.3.1-1
quantum-espresso/7.3
q-chem/6/6.0-1
quip/0.9.14
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/2.6
rasmol/2.7/2.7.5-1
rasmol/2.7
readline/6/6.2-1
readline/6
rings/1.2/intel/1.3.3-1
rings/1.2
rings/1.2/openmpi-1.4/intel/1.2.3-1
rings/1.3
rings/1.3/intel/1.3.3-1
rings/1
rings/1/intel/1.3.3-1
rings/1/openmpi-1.4/intel/1.2.3-1


ScientificPython/2/intel/2.8-1
ScientificPython/2
scipy/0/openmpi-1.4/gcc/0.9.0-1
scipy/0
scipy/0/openmpi-1.4/intel/0.10.0-1
siesta/3
siesta/3/openmpi-1.4/intel/3.2-1
siesta/4.0
siesta/4.0/impi-5/intel-16/4.0-1
siesta/4.1-b2
siesta/4.1-b2/impi-5/intel-16/4.1-b2-1
siesta/4.1
siesta/4.1-b2/impi-5/intel-16/4.1-b2-2
slurm/19.05
siesta/4.1-b2/impi/intel/4.1-b2-3
sparta/2020-07-06
siesta/4.1/impi-5/intel-16/4.1-b2-1
spglib/1
siesta/4.1/impi-5/intel-16/4.1-b2-2
stress-ng/0
slurm/19.05/19.05.1-5
stress/1
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-vtst/4
vasp-vtstscripts/2012/2012-11-11-1
vasp-vtstscripts/2012
vasp-vtstscripts/926/926-1
vasp-vtstscripts/926
vasp/4.6/openmpi-1.4/intel/4.6.35-mkl-13
vasp/4.6
vasp/4.6/openmpi-1.4/intel/4.6.35-mkl-nozheevx-8
vasp5/5.3-scan
vasp/4.6/openmpi-1.4/intel/4.6.36-mkl-4
vasp5/5.3
vasp5/5.3-scan/impi-5/intel-16/5.3.5-scan-1
vasp5/5.4-z2pack
vasp5/5.3-scan/openmpi-1.10/intel-16/5.3.5-scan-1
vasp5/5.4
vasp5/5.3/impi-5/intel-16/5.3.5-2
vasp6/6.3
vasp5/5.3/openmpi-1.10/
vesta/3
vasp5/5.3/openmpi-1.10/intel-16/5.3.5-1
vmd/1
vasp5/5.3/openmpi-1.4/intel/5.3.2-mkl-beef-1
voro++/0
vasp5/5.3/openmpi-1.4/intel/5.3.3p3-mkl-3
vtk/5
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-z2pack
wannier90/1/1.2-1
wannier90/1
wannier90/1/1.2-2
wannier90/2
wannier90/2/impi-5/intel-16/2.0.1-3
wannier90/3
wannier90/2/openmpi-1.10/intel-16/2.0.1-3
wien2k/09
wannier90/3/impi/intel/19/3.1.0-1
wien2k/14.2
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
xcrysden/1/1.5.21-1
Line 378: Line 258:
<div style="column-count:2">
<div style="column-count:2">
<pre>
<pre>
cmake/3.18/3.18.2-1
cmake/3.18


cuda/9/9.2
cuda/9
cuda/10/10.2
cuda/10
cuda/11/11.6
cuda/11


gcc/4.4/4.4.7
gcc/4.4
gcc/4.9/4.9.3-1
gcc/4.9
gcc/6.4/6.4.0-1
gcc/6.4
gcc/7.3/7.3.0-1
gcc/7.3
gcc/8.2/8.2.0-1
gcc/8.2
gcc/8.5/
gcc/8.5
gcc/8.5/8.5.0-1
gcc/11.1
gcc/11.1/11.1.0-1


glibc/2.23/2.23-1
glibc/2.23


impi/4/4.1.3
impi/4
impi/5/5.0.3
impi/5
impi/5/5.1.1
impi/2017
impi/5/5.1.1-3
impi/2018
impi/5/5.1.2-2
impi/2019
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/11
intel/12/12.1.6
intel/12
intel/13/13.1.3
intel/13
intel/14/14.0.4
intel/14
intel/15/15.0.2
intel/15
intel/15/15.0.3
intel/16
intel/15/15.0.4
intel/17
intel/16/16.0.0-0
intel/18
intel/16/16.0.0-1
intel/19
intel/16/16.0.0-3
intel/2021
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
java/1.7/1.7.0_25-fcs


mpich/3/gcc/3.1.2-2
mpich/3


nvhpc-byo-compiler/22.5
nvhpc-byo-compiler/22.5
Line 452: Line 299:
nvhpc/22.5
nvhpc/22.5


openmpi/1.4/gcc/1.4.5-gcc-2
openmpi/1.4
openmpi/1.4/intel/1.4.5-intel11-1
openmpi/1.6
openmpi/1.4/intel/1.4.5-intel11-2
openmpi/1.8
openmpi/1.4/intel/1.4.5-intel12-1
openmpi/1.10
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
perl/5/5.24.1-2


python-anaconda/2.7/
python-anaconda/2.7/4
python-anaconda/2.7/4/2.7.11-4.0.0-2
python-anaconda/3.5/4
python-anaconda/3.5/4/3.5.1-4.0.0-2
python-centos/2.6/gcc-4.4
python-centos/2.6/gcc-4.4/2.6.6
python-centos/2.7/gcc-4.8
python-centos/2.7/gcc-4.8/2.7.5
python-env-anaconda/2.7/4
python-env-anaconda/2.7/
python-env-anaconda/3.5/4
python-env-anaconda/2.7/4/2.7.11-09
python-env-intel/2.7/2017
python-env-anaconda/3.5/4/3.5.1-09
python-env-intel/2.7/2018
python-env-intel/2.7/
python-env-intel/3.5/2017
python-env-intel/2.7/2017/2.7-001
python-env-intel/3.6/2018
python-env-intel/2.7/2017/2.7-004
python-intel/2.7/2015
python-env-intel/2.7/2017/2.7-01
python-intel/2.7/2017
python-env-intel/2.7/2018/2.7-01
python-intel/2.7/2018
python-env-intel/2.7/2018/2.7-03
python-intel/3.5/2015
python-env-intel/3.5/2017/3.5-001
python-intel/3.5/2017
python-env-intel/3.5/2017/3.5-004
python-intel/3.6/2018
python-env-intel/3.5/2017/3.5-01
python/2.7/gcc-4.1
python-env-intel/3.6/2018/3.6-01
python/2.7/gcc-4.4
python-env-intel/3.6/2018/3.6-03
python/3.5/gcc-4.4
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


</pre>
</pre>
</div>
</div>

Latest revision as of 15:55, 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.


Local documentation

Documentation about local installation and usage is available for some applications and development packages.

You can also locate those pages by using the "Search CNM Wiki" box near the top of the current page.

Applications

Development tools

Module Overview

The module catalog with abbreviated version numbers is given below.

You can access this catalog on Carbon itself using the following commands to show all available modules, one-line summaries, and longer descriptions (usually with copyrights and links), respectively: 

module avail [name]
module whatis [name]
module help name
  • To use these modules, you must specifically "load" them, possibly down to a specific version, see Module setup instructions.
  • See also the man page for the module command (man module).

Applications

abinit/7
abinit/8.6
amber/12
ambertools/12
ase/3.9/3.9.1-1
atk/12
atk/2015
atk/2016
atk/2017
atlas/3/intel
atomeye/kermode

beef/0/0.1.2-1
boost/1/gcc

chargemol/2014
chargemol/2015
charm/6
comsol/4
comsol/5
comsol/6
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
fftw3/3.3/intel
fftw3/3.3/openmpi
fox/4/intel

garffield/1/openmpi-1.4
gaussian/09
gaussian/16
gaussview/5
gaussview/6
gnuplot/4.6
gnuplot/5.0
gnuplot/5.2
gnuplot/5.4
GotoBLAS/1
gpaw-setups/0
gpaw/0
gsl/1

h5utils/1
harminv/1
hdf5/1.10/intel-19
hdf5/1.10/nvhpc-22.5
hoomd/0/gcc
hydra/3/gcc

idl/8

jdftx/0
jmol/13

lammps/2012
lammps/2015
lammps/2020
lammps/2023-11-21-gpu
lammps/2023-11-21

layout-beamer/3
libctl/3.2
libctl/3
libgd/2
libint/1
libint2/2.0
libmatheval/1
libvdwxc/0
libxc/1
libxc/2
libxc/4

lumerical-DEVICE/6
lumerical-DEVICE/7
lumerical-FDTD/8
lumerical-INTERCONNECT/7
lumerical-INTERCONNECT/8
lumerical-MODE/7
lumerical/2019b
lumerical/2020
lumerical/2020a
lumerical/2021
lumerical/2022
lumerical/2023
lumerical/2024
lumerical/7
lumerical/8

mathematica/10
mathematica/11
mathematica/12
mathematica/13
matlab/R2013a
matlab/R2019b
meep/1
mesa-gl/18
mesa-gl/6
mesa-gl/7
moab/6
molpro/2009
molpro/2012
mpb/1
mumax3/3.10beta
mumax3/3.9

namd/2
netcdf/3
nlopt/2
numpy/1
nwchem/6

octave/4.0
octopus/4
octopus/9
octopus/10.1

packmol/13
periodic_NBO/2012
phonopy/1.10
povray/3
pwgui/4

q-chem/4.1
q-chem/5
q-chem/6
quantum-espresso/4
quantum-espresso/5.4
quantum-espresso/7.3
quip/0.9.14

rasmol/2.6
rasmol/2.7
readline/6
rings/1.2
rings/1.3
rings/1

ScientificPython/2
scipy/0
siesta/3
siesta/4.0
siesta/4.1-b2
siesta/4.1
slurm/19.05
sparta/2020-07-06
spglib/1
stress-ng/0
stress/1

vasp-vtst/4
vasp-vtstscripts/2012
vasp-vtstscripts/926
vasp/4.6
vasp5/5.3-scan
vasp5/5.3
vasp5/5.4-z2pack
vasp5/5.4
vasp6/6.3
vesta/3
vmd/1
voro++/0
vtk/5

wannier90/1-z2pack
wannier90/1
wannier90/2
wannier90/3
wien2k/09
wien2k/14.2

xcrysden/1/1.5.21-1

Development tools

cmake/3.18

cuda/9
cuda/10
cuda/11

gcc/4.4
gcc/4.9
gcc/6.4
gcc/7.3
gcc/8.2
gcc/8.5
gcc/11.1

glibc/2.23

impi/4
impi/5
impi/2017
impi/2018
impi/2019

intel/11
intel/12
intel/13
intel/14
intel/15
intel/16
intel/17
intel/18
intel/19
intel/2021

java/1.7/1.7.0_25-fcs

mpich/3

nvhpc-byo-compiler/22.5
nvhpc-nompi/22.5
nvhpc/22.5

openmpi/1.4
openmpi/1.6
openmpi/1.8
openmpi/1.10

perl/5/5.24.1-2

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/2.7/4
python-env-anaconda/3.5/4
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/2.7/2015
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/gcc-4.1
python/2.7/gcc-4.4
python/3.5/gcc-4.4
Retrieved from "https://wiki.anl.gov/wiki_cnm/index.php?title=HPC/Applications&oldid=7338"