HPC/Applications: Difference between revisions
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== Applications == | == Applications == | ||
<div style="column-count: | <div style="column-count:2"> | ||
<pre> | <pre> | ||
abinit/7/openmpi-1.4 | abinit/7/openmpi-1.4/intel/7.4.2-1 | ||
abinit/8.6/impi | abinit/7/openmpi-1.4/intel/7.4.2-10 | ||
amber/12/openmpi-1.4 | abinit/8.6/impi/intel/8.6.3-1 | ||
ambertools/12/openmpi-1.4 | 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 | ase/3.9/3.9.1-1 | ||
atk/12/12.8.2-1 | atk/12/12.8.2-1 | ||
| Line 37: | Line 38: | ||
atk/2016/2016.4-1 | atk/2016/2016.4-1 | ||
atk/2017/2017.2-1 | atk/2017/2017.2-1 | ||
atlas/3/intel | atlas/3/intel/3.8.0-4 | ||
atomeye/kermode/kermode-2010-1 | atomeye/kermode/kermode-2010-1 | ||
beef/0/0.1.2-1 | beef/0/0.1.2-1 | ||
boost/1/gcc | boost/1/gcc/1.47.0-1 | ||
chargemol/2014/intel | chargemol/2014/intel/2014-09-14-2 | ||
chargemol/2015/intel | chargemol/2015/intel/2015-06-28-1 | ||
charm/6/openmpi-1.4 | 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/4/4.1-1 | ||
comsol/4/4.2-1 | comsol/4/4.2-1 | ||
| Line 62: | Line 67: | ||
comsol/5/5.5.0.359-1 | comsol/5/5.5.0.359-1 | ||
comsol/5/5.6.0.0-1 | comsol/5/5.6.0.0-1 | ||
comsol/6/ | comsol/6/ | ||
comsol/6/6.0-1 | comsol/6/6.0-1 | ||
comsol/6/6.1-1 | comsol/6/6.1-1 | ||
cp2k/2/openmpi-1.4 | comsol/6/6.2-1 | ||
cp2k/5.1/impi | cp2k/2/openmpi-1.4/intel/2.2-4 | ||
dacapo/2/openmpi-1.4 | cp2k/5.1/impi/intel/5.1 | ||
ddscat/7/intel | dacapo/2/openmpi-1.4/intel/2.7.15-ifort-5 | ||
epics/3/gcc | ddscat/7/intel/7.2.2-3 | ||
feff/9.6/impi | defaults/system/2/1.0 | ||
fftw3/3.3/impi-5 | defaults/system/2/2.0 | ||
fftw3/3.3/impi | defaults/user/ | ||
fftw3/3.3/intel-19 | defaults/user/2/2.3 | ||
fftw3/3.3/intel | embody/1/1.0.5 | ||
fftw3/3.3/openmpi-1.10 | embody/1/1.9.1 | ||
fftw3/3.3/openmpi-1.4 | embody/1/1.9.2 | ||
fftw3/3.3/openmpi | embody/1/1.9.3 | ||
fox/4/intel | embody/1/1.9.4 | ||
garffield/1/openmpi-1.4 | embody/1/1.9.5 | ||
embody/1/1.9.6 | |||
embody/1/1.9.7 | |||
embody/1/1.9.8 | |||
embody/1/1.9.9 | |||
embody/2/2.0.0 | |||
embody/2/2.0.1 | |||
embody/2/2.0.10 | |||
embody/2/2.0.11 | |||
embody/2/2.0.12 | |||
embody/2/2.0.13 | |||
embody/2/2.0.14 | |||
embody/2/2.0.15 | |||
embody/2/2.0.2 | |||
embody/2/2.0.3 | |||
embody/2/2.0.4 | |||
embody/2/2.0.5 | |||
embody/2/2.0.6 | |||
embody/2/2.0.7 | |||
embody/2/2.0.8 | |||
embody/2/2.0.9 | |||
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/09/09.D.01.x86_64-3 | ||
gaussian/16/16-A.03-1 | gaussian/16/16-A.03-1 | ||
| Line 90: | Line 130: | ||
gnuplot/5.0/5.0.6-1 | gnuplot/5.0/5.0.6-1 | ||
gnuplot/5.2/5.2.rc1-1 | gnuplot/5.2/5.2.rc1-1 | ||
gold/2/ | gnuplot/5.4/5.4.9-1 | ||
gold/2/ | |||
gold/2/2.2.0.5-6-EL6 | gold/2/2.2.0.5-6-EL6 | ||
gold/2/2.2.0.5-7 | gold/2/2.2.0.5-7 | ||
gold/2/2.2.0.5-7a | gold/2/2.2.0.5-7a | ||
GotoBLAS/1/gcc | GotoBLAS/1/gcc/1.26-gfortran-1 | ||
GotoBLAS/1/intel | 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-setups/0/0.8.7929 | ||
gpaw/0/openmpi-1.4 | gpaw/0/openmpi-1.4/intel/0.9.0-gcc-3 | ||
gsl/1/1.16-1 | gsl/1/1.16-1 | ||
h5utils/1/gcc | h5utils/1/gcc/1.12.1-3 | ||
harminv/1/intel | harminv/1/intel/1.3.1-mkl-4 | ||
hdf5/1.10/intel-19 | harminv/1/intel/1.3.1-netlib-4 | ||
hdf5/1.10/nvhpc-22.5 | hdf5/1.10/intel-19/1.10.8-3 | ||
hdf5/1/intel | hdf5/1.10/nvhpc-22.5/1.10.8-3 | ||
hdf5/1/openmpi-1.4 | hdf5/1/intel/1.8.13-intel11-serial | ||
hoomd/0/gcc | hdf5/1/intel/1.8.13-intel12-serial | ||
hydra/3/gcc | 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 | idl/8/8.2.2-1 | ||
jdftx/0/gcc-4.9 | 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 | |||
jdftx/0/gcc-4.9/0.99-svn1205-1 | |||
jdftx/0/gcc-4.9/0.99-svn1205-2 | |||
jmol/13/13.2.8-1 | jmol/13/13.2.8-1 | ||
lammps/2012/openmpi-1.4 | lammps/2012/openmpi-1.4/intel/2012-02-12-parallel-jr-11 | ||
lammps/2015/impi | lammps/2015/impi/intel-19/2015-05-15-5 | ||
lammps/2015/openmpi-1.10 | lammps/2015/openmpi-1.10/ | ||
lammps/2015/openmpi-1.4 | lammps/2015/openmpi-1.10/intel-16/2015-05-15-4 | ||
lammps/2020/impi | 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 | layout-beamer/3/3.3.0beta2_64 | ||
libctl/3.2/intel-17 | libctl/3.2/intel-17/3.2.2-2 | ||
libctl/3/intel | libctl/3/intel/3.0.3-5 | ||
libgd/2/intel-18 | libgd/2/intel-18/2.2.5-1 | ||
libint/1/intel | libint/1/intel/1.1.4-1 | ||
libint2/2.0/intel | libint2/2.0/intel/2.0.0-2 | ||
libmatheval/1/gcc | libint2/2.0/intel/2.0.5-1 | ||
libvdwxc/0/impi | libint2/2.0/intel/2.0.5-3 | ||
libvdwxc/0/intel-18 | libmatheval/1/gcc/1.1.7-3 | ||
libvdwxc/0/intel-19 | libvdwxc/0/impi/intel-18/0.4.0-1 | ||
libvdwxc/0/intel | libvdwxc/0/impi/intel-19/0.4.0-2 | ||
libxc/1/intel | libvdwxc/0/intel-18/0.4.0-2 | ||
libxc/2/gcc-4.9 | libvdwxc/0/intel-19/0.4.0-2 | ||
libxc/2/intel-15 | libvdwxc/0/intel/0.4.0-3 | ||
libxc/2/intel-16 | libxc/1/intel/1.1.0-1 | ||
libxc/2/intel-18 | libxc/2/gcc-4.9/2.2.2-2 | ||
libxc/4/intel-18 | libxc/2/gcc-4.9/2.2.2-3 | ||
lumerical/2021/2021-R1-1 | 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-R2-1 | ||
lumerical/2021/2021-R2-ansyslm-1 | lumerical/2021/2021-R2-ansyslm-1 | ||
lumerical/2022/ | |||
lumerical/2022/2022-R1.4-1 | lumerical/2022/2022-R1.4-1 | ||
lumerical/2022/2022-R2-2 | lumerical/2022/2022-R2-2 | ||
lumerical/2022/2022-R2.1-1 | 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/10/10.1.0-1 | ||
mathematica/11/11.3.0-1 | mathematica/11/11.3.0-1 | ||
| Line 144: | Line 249: | ||
mathematica/12/12.2.0-1 | mathematica/12/12.2.0-1 | ||
mathematica/13/13.0-1 | mathematica/13/13.0-1 | ||
mathematica/13/13.3.1-1 | |||
matlab/R2013a/R2013a-5 | matlab/R2013a/R2013a-5 | ||
matlab/R2013a/R2013a-8 | matlab/R2013a/R2013a-8 | ||
matlab/R2019b/R2019b-1 | matlab/R2019b/R2019b-1 | ||
meep/1/intel | meep/1/intel/1.1.1-serial-1 | ||
meep/1/openmpi-1.4 | 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/6/6.5.2-1 | ||
mesa-gl/7/7.2-1 | mesa-gl/7/7.2-1 | ||
moab/6/ | |||
molpro/2009/openmpi-1.4 | 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/2012/2012.1.29-4 | ||
molpro/2012/2012.1.29-6 | molpro/2012/2012.1.29-6 | ||
| Line 158: | Line 269: | ||
molpro/2012/2012.1.29-8 | molpro/2012/2012.1.29-8 | ||
mpb/1/1.5-4 | mpb/1/1.5-4 | ||
mumax3/3.10beta/3.10beta-1 | |||
mumax3/3.10beta/3.10beta-1 | |||
mumax3/3.10beta/3.10beta-2 | mumax3/3.10beta/3.10beta-2 | ||
mumax3/3.9/3.9.3-1 | mumax3/3.9/3.9.3-1 | ||
namd/2/multicore-CUDA | namd/2/multicore-CUDA/2.13-1 | ||
namd/2/multicore | namd/2/multicore/2.13-1 | ||
namd/2/openmpi-1.4 | namd/2/openmpi-1.4/intel/2.9-MPI-icc-4 | ||
namd/2/TCP | namd/2/openmpi-1.4/intel/2.9plus-MPI-icc-3 | ||
namd/2/verbs-smp-CUDA | namd/2/TCP/2.13-1 | ||
namd/2/verbs-smp | namd/2/verbs-smp-CUDA/2.13-1 | ||
namd/2/verbs | namd/2/verbs-smp/ | ||
netcdf/3/gcc | namd/2/verbs-smp/2.13-1 | ||
netcdf/3/intel | namd/2/verbs/2.13-1 | ||
nlopt/2/gcc | netcdf/3/gcc/3.6.3-gfortran-5 | ||
numpy/1/intel | netcdf/3/intel/3.6.3-intel11-5 | ||
nwchem/6/openmpi-1.4 | 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/4.0/4.0.3-1 | ||
octopus/10.1/impi | octopus/10.1/impi/intel/10.1-1 | ||
octopus/10.1/intel | octopus/10.1/intel/10.1-1 | ||
octopus/4/intel-18 | octopus/4/intel-18/ | ||
octopus/4/openmpi-1.4 | octopus/4/intel-18/4.0.1-9 | ||
octopus/9/intel-19 | octopus/4/openmpi-1.4/intel/4.0.1-8 | ||
packmol/13/intel | octopus/9/intel-19/9.1-5 | ||
periodic_NBO/2012/intel | packmol/13/intel/13.243-1 | ||
periodic_NBO/2012/intel/2012-11-14-1 | |||
perl/5/5.24.1-2 | perl/5/5.24.1-2 | ||
phonopy/1.10/1.10.8-1 | phonopy/1.10/1.10.8-1 | ||
phonopy/1.10/1.10.8-2 | phonopy/1.10/1.10.8-2 | ||
povray/3/gcc | povray/3/gcc/3.7.0.RC3-1 | ||
povray/3/gcc/3.7.0.RC3-2 | |||
pwgui/4/4.2-1 | pwgui/4/4.2-1 | ||
q-chem/4.1/4.1.0.1-1 | q-chem/4.1/4.1.0.1-1 | ||
q-chem/5/ | q-chem/5/ | ||
q-chem/5/5.1.2-1 | q-chem/5/5.1.2-1 | ||
q-chem/5/5.2.1-1 | q-chem/5/5.2.1-1 | ||
| Line 194: | Line 308: | ||
q-chem/5/5.3.1-1 | q-chem/5/5.3.1-1 | ||
q-chem/6/6.0-1 | q-chem/6/6.0-1 | ||
quantum-espresso/4/openmpi-1.4 | quantum-espresso/4/openmpi-1.4/intel/4.3.2-2 | ||
quantum-espresso/5.4/openmpi-1.10 | 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/2.6/2.6.4-foc-1 | ||
rasmol/2.7/2.7.5-1 | rasmol/2.7/2.7.5-1 | ||
readline/6/6.2-1 | readline/6/6.2-1 | ||
rings/1.2/intel | rings/1.2/intel/1.3.3-1 | ||
rings/1.2/openmpi-1.4 | rings/1.2/openmpi-1.4/intel/1.2.3-1 | ||
rings/1.3/intel | rings/1.3/intel/1.3.3-1 | ||
rings/1/intel | rings/1/intel/1.3.3-1 | ||
rings/1/openmpi-1.4 | rings/1/openmpi-1.4/intel/1.2.3-1 | ||
ScientificPython/2/intel | ScientificPython/2/intel/2.8-1 | ||
scipy/0/openmpi-1.4 | scipy/0/openmpi-1.4/gcc/0.9.0-1 | ||
siesta/3/openmpi-1.4 | scipy/0/openmpi-1.4/intel/0.10.0-1 | ||
siesta/4.0/impi-5 | siesta/3/openmpi-1.4/intel/3.2-1 | ||
siesta/4.1-b2/impi-5 | siesta/4.0/impi-5/intel-16/4.0-1 | ||
siesta/4.1-b2/impi | siesta/4.1-b2/impi-5/intel-16/4.1-b2-1 | ||
siesta/4.1/impi-5 | siesta/4.1-b2/impi-5/intel-16/4.1-b2-2 | ||
sparta/2020-07-06/impi | siesta/4.1-b2/impi/intel/4.1-b2-3 | ||
spglib/1/gcc | siesta/4.1/impi-5/intel-16/4.1-b2-1 | ||
vasp-vtst/4/openmpi-1.4 | 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/2012/2012-11-11-1 | ||
vasp-vtstscripts/926/926-1 | vasp-vtstscripts/926/926-1 | ||
vasp/4.6/openmpi-1.4 | vasp/4.6/openmpi-1.4/intel/4.6.35-mkl-13 | ||
vasp5/5.3-scan/impi-5 | vasp/4.6/openmpi-1.4/intel/4.6.35-mkl-nozheevx-8 | ||
vasp5/5.3-scan/openmpi-1.10 | vasp/4.6/openmpi-1.4/intel/4.6.36-mkl-4 | ||
vasp5/5.3/impi-5 | vasp5/5.3-scan/impi-5/intel-16/5.3.5-scan-1 | ||
vasp5/5.3/openmpi-1.10 | vasp5/5.3-scan/openmpi-1.10/intel-16/5.3.5-scan-1 | ||
vasp5/5.3/openmpi-1.4 | vasp5/5.3/impi-5/intel-16/5.3.5-2 | ||
vasp5/5.4-z2pack/impi-5 | vasp5/5.3/openmpi-1.10/ | ||
vasp5/5.4-z2pack/openmpi-1.10 | vasp5/5.3/openmpi-1.10/intel-16/5.3.5-1 | ||
vasp5/5.4/ | vasp5/5.3/openmpi-1.4/intel/5.3.2-mkl-beef-1 | ||
vasp5/5.4/impi-2019 | vasp5/5.3/openmpi-1.4/intel/5.3.3p3-mkl-3 | ||
vasp5/5.4/impi-5 | vasp5/5.3/openmpi-1.4/intel/5.3.3p3-mkl-cellz-1 | ||
vasp5/5.4/openmpi-1.10 | vasp5/5.4-z2pack/impi-5/intel-16/5.4.1.3-z2pack-1 | ||
vasp6/6.3/impi | vasp5/5.4-z2pack/impi-5/intel-16/5.4.1.3-z2pack-2 | ||
vasp6/6.3/nvhpc | 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 | vesta/3/3.2.1-1 | ||
vmd/1/1.9.1-2 | vmd/1/1.9.1-2 | ||
voro++/0/intel | voro++/0/intel/0.4.5-1 | ||
vtk/5/intel | vtk/5/intel/5.0.4-icc-3 | ||
wannier90/1-z2pack/1.2-z2pack-1 | wannier90/1-z2pack/1.2-z2pack-1 | ||
wannier90/1/1.2-1 | wannier90/1/1.2-1 | ||
wannier90/1/1.2-2 | wannier90/1/1.2-2 | ||
wannier90/2/impi-5 | wannier90/2/impi-5/intel-16/2.0.1-3 | ||
wannier90/2/openmpi-1.10 | wannier90/2/openmpi-1.10/intel-16/2.0.1-3 | ||
wannier90/3/impi | wannier90/3/impi/intel/19/3.1.0-1 | ||
wannier90/3/intel | wannier90/3/intel/19/3.1.0-1 | ||
wannier90/3/nvhpc-parallel | wannier90/3/nvhpc-parallel/nvhpc/22.5/3.1.0-1 | ||
wannier90/3/nvhpc | wannier90/3/nvhpc/22.5/3.1.0-1 | ||
wien2k/09/intel | wien2k/09/intel/09.2-1 | ||
wien2k/14.2/impi-5 | wien2k/14.2/impi-5/intel-16/14.2-7 | ||
xcrysden/1/1.5.21-1 | xcrysden/1/1.5.21-1 | ||
</pre> | </pre> | ||
| Line 250: | Line 396: | ||
== Development tools == | == Development tools == | ||
<div style="column-count: | <div style="column-count:2"> | ||
<pre> | <pre> | ||
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/4.4/4.4.7 | ||
| Line 274: | Line 409: | ||
gcc/7.3/7.3.0-1 | gcc/7.3/7.3.0-1 | ||
gcc/8.2/8.2.0-1 | gcc/8.2/8.2.0-1 | ||
gcc/8.5/ | gcc/8.5/ | ||
gcc/8.5/8.5.0-1 | gcc/8.5/8.5.0-1 | ||
gcc/11.1/11.1.0-1 | gcc/11.1/11.1.0-1 | ||
glibc/2.23/2.23-1 | 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 | |||
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-byo-compiler/22.5 | ||
| Line 283: | Line 462: | ||
nvhpc/22.5 | nvhpc/22.5 | ||
openmpi/1.4 | openmpi/1.4/gcc/1.4.5-gcc-2 | ||
openmpi/1.6 | openmpi/1.4/intel/1.4.5-intel11-1 | ||
openmpi/1.8 | openmpi/1.4/intel/1.4.5-intel11-2 | ||
openmpi/1.10 | 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 | |||
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 | |||
</pre> | </pre> | ||
</div> | </div> | ||
Revision as of 21:53, March 20, 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.
You, the user, must select ("load") the modules that you wish to use, possibly down to a specific version. An exception to this are a handful of basic modules that are pre-loaded when you log in.
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
- See also
- Module setup instructions
- The man page for the module command (
man module).
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 defaults/system/2/1.0 defaults/system/2/2.0 defaults/user/ defaults/user/2/2.3 embody/1/1.0.5 embody/1/1.9.1 embody/1/1.9.2 embody/1/1.9.3 embody/1/1.9.4 embody/1/1.9.5 embody/1/1.9.6 embody/1/1.9.7 embody/1/1.9.8 embody/1/1.9.9 embody/2/2.0.0 embody/2/2.0.1 embody/2/2.0.10 embody/2/2.0.11 embody/2/2.0.12 embody/2/2.0.13 embody/2/2.0.14 embody/2/2.0.15 embody/2/2.0.2 embody/2/2.0.3 embody/2/2.0.4 embody/2/2.0.5 embody/2/2.0.6 embody/2/2.0.7 embody/2/2.0.8 embody/2/2.0.9 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 gold/2/ 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/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 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 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/ 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 perl/5/5.24.1-2 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 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 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