Applications¶
Several programs with different versions are available on HPC systems. Having
all the versions at the disposal of the user simultaneously leads to library
conflicts and clashes. In any production environment only the needed packages
should be included in the environment of the user. In-order to use python3
the appropriate module should be loaded.
$ module load python/3
Modules are “configuration” set/change/remove environment variables from the current environment.
Useful module commands¶
module avail: display the available packages that can be loaded
module list: lists the loaded packages
module load foo: to load the packagefoo
module rm foo: to unload the packagefoo
module purge: to unload all the loaded packages
For detailed information on the usage of module check the man pages
$ man module
Installed applications, tools and scientific libraries¶
Below is a list of applications currently installed and maintained on the HPC environment. These application are available to all users and can be used in any combination as long as they are compatible with each other and do not cause library clashes.
Scientific applications¶
Application |
Version |
|---|---|
abaqus |
2020 |
ansys |
electromagnetics/19.0 |
fluent/17.2 |
|
fluent/18.2 |
|
fluent/19.0 |
|
fluent/20.1 |
|
darknet |
0ff2343 |
petrel |
2019.2 |
enzo |
enzo |
2.5-gcc-9.1.0-openmpi-4.0.1 |
|
ffmpeg |
4.2.2 |
gaussian |
09 |
git |
2.23.0 |
gnuplot |
5.2.8 |
gromacs |
2020-gpu |
2020-mpi-gpu |
|
2020-mpi |
|
kaldi |
4c41168-gcc-8.3.0-cuda-10.1 |
4c41168-gcc-8.3.0 |
|
lammps |
7Aug2019-gcc-9.1.0 |
mathematica |
11.3 |
matlab |
2018b |
2019b |
|
mrbayes |
3.2.7-gcc-9.1.0 |
3.2.7-mpi |
|
3.2.7-openmpi-4.0.1 |
|
3.2.7 |
|
mumax |
3.10beta-b21e9e6 |
3.10beta |
|
nload |
0.7.4 |
octave |
5.2.0 |
opensees |
3.2.0 |
pari |
2.11.2-mt |
2.11.2 |
|
semargl |
221910c |
singularity |
3.1.0 |
3.5.2 |
|
sox |
12.18.1 |
14.4.2 |
|
vim |
8.1 |
Scientific Libraries¶
Name |
Version |
|---|---|
amd |
amd-rng/2.1 |
blis/2.1 |
|
fftw/3.5.8-amd-mpi |
|
lapack/2.1 |
|
libm/3.5.0 |
|
scalapack/2.1 |
|
securerng/2.1 |
|
blas |
3.8.0 |
cblas |
3.8.0 |
cupy |
py36-cuda-8.0 |
py36-cuda-10.1 |
|
py37-cuda-8.0 |
|
py37-cuda-9.1 |
|
py37-cuda-10.1 |
|
eigen |
3.3.7 |
fftw |
2.1.5 |
3.3.8 |
|
flac |
1.3.3 |
gdal |
2.4.1 |
gperftools |
2.7-gcc-4.8.5 |
grackle |
3.2-gcc-9.1.0-haswell |
gsl |
2.6 |
hdf/5 |
1.8.15-mpi |
1.8.15-openmpi-4.0.1 |
|
1.8.15-serial-gcc-9.1.0 |
|
1.8.15-serial |
|
hypre |
openmpi/2.13.10-gcc-9.1.0 |
lame |
3.100 |
lapack |
3.8.0 |
libcint |
3.0.18 |
libjpeg |
turbo-2.0.4 |
libpng |
1.6.36 |
libunwind |
1.3.1-gcc-4.8.5 |
1.3.1-gcc-9.1.0 |
|
numactl |
2.0.13 |
openblas |
0.3.5 |
0.3.8-gcc-9.1.0-dynamic-arch |
|
0.3.8-gcc-9.1.0-haswell |
|
opencv |
3.4.10 |
openfst |
1.6.7-gcc-8.3.0 |
rpy2 |
2.9.5-py3-gcc-8.3.0 |
2.9.5 |
|
ucx |
1.6.0 |
xlrd |
1.2.0 |
Compilers and interpreters¶
Name |
Version |
|---|---|
amd/aocc |
2.0.0 |
2.1.0 |
|
cmake |
3.10.2 |
3.13.4 |
|
3.15.4 |
|
Cuda |
8.0 |
9.0 |
|
9.1 |
|
10 |
|
10.1 |
|
gcc |
5.4.0 |
6.4.0 |
|
7.2.0 |
|
8.3.0 |
|
9.1.0 |
|
10.1.0 |
|
go |
1.11 |
1.13.4 |
|
intel |
2019u5 |
java |
java8 |
jdk/1.8.0_161 |
|
jdk/1.8.0 |
|
llvm |
5 |
8 |
|
9 |
|
mpi/mpich |
intel-2019u5 |
3.3 |
|
3.3.2 |
|
mpi/mvapich |
2.3 |
mpi/openmpi |
1.6.2 |
3.1.3 |
|
4.0.1-slurm-18.08.6 |
|
4.0.1 |
|
perl |
5.28.0 |
5.30.1 |
|
pgi |
19.10/pgi |
python |
2 |
2.7.15 |
|
3 |
|
3.7.3 |
|
3.7.7 |
|
3.8.2 |
|
base/miniconda3 |
|
pytorch |
|
pytorch-0.4.1 |
|
qiskit |
|
tensorflow-1.14.0 |
|
tensorflow-2.1 |
|
theano |
|
theano-1.0.4 |
|
scala |
2.12.7 |
swig |
4.0.1 |
Miscellaneous Applications¶
Name |
Version |
|---|---|
R |
3.6.1 |
autoconf |
2.69 |
automake |
1.16 |
curl |
7.58.0 |
hwloc |
2.0.3 |
libtool |
2.4.6 |
pmix |
2.2.2 |
prun |
1.3 |