Logiciels

Découvrez l'ensemble des ressources disponibles au mésocentre eXplor.

Bibliothèques

Bibliothèque	Version(s)	Bibliothèque	Version(s)
ADIOS2	gcc-11.2.0 / 2023.02.26	ARPACK	gcc-8.4 / 3.9.0 intel-2017.4.196 / std std
ATLAS	3.10.3	Autoconf	gcc-8.4 / 2.71 gnu-12.2 / 2.71
Autogen	5.18.16 gcc-8.4 / 5.18.16	Automake	gcc-8.4 / 1.16
BDWGC	8.0.2 gcc-8.4 / 8.2.2	Bear	gcc-11.2.0 / 3.0.21
Binutils	gcc-11.2.0 / 2.40 gcc-12.2 / 2.40 gcc-4.8.5 / 2.40	Bison	gcc-11.2.0 / 3.8 gcc-4.8.5 / 3.8 gcc-8.4 / 3.8
Boost	1.78.0 gcc-11.2.0 / 1.78.0 gcc-8.4 / 1.82.0_plain gcc-8.4 / 1.82.0 gcc-9.2.0 / 1.78.0 gcc-9.2.0 / 1.81.0 1.64.0	Cairo	1.17.4
CGAL	gcc-11.2.0 / 4.9.1	CMake	3.10.2 3.15.5 loria/gcc7/cmake/3.23 --> 3.22.3 gnu-11.2.0/3.23 --> 3.22.3 gcc-9.2.0/3.23 --> 3.23.2 intel-2017.4.196/3.23.2 gcc-4.8/3.26.3 gcc-8.4/3.26.3 gnu-12.2/3.26.3 oneapi-2023.0.0/3.26.3 gnu-11.2.0/3.30.0 gnu-12.2/3.30.0 gnu-13.2/3.30.0 intel-2019.4.1.2/3.30.0 oneapi-2023.0.0/3.30.0
DejaGNU	1.6	Eigen	3.4.0 gcc-8.4 / 3.4.0 gcc-12.2 / 3.4.0 intel-oneapi-2023.0.0 / 3.4.0
ELPA	intel/2017.4.196/2022.05.001 gcc-8.4/2022.11.001 oneapi/2023.0.0/2023.05.001	Expect	5.45.4
FFTW	3.3.7/intelmpi17-intel17 3.3.8 gcc-11.2.0/openmpi-4.1.2/3.3.10 gcc-11.2.0/openmpi-4.1.4/3.3.10 gcc-8.4/3.3.10 gcc-9.2.0/openmpi-4.1.4/3.3.10 gnu-12.2/ompi-4.1.5/3.3.10 gnu-12.2/ompi-4.1.5_plain/3.3.10 gnu-13.2/openmpi-5.0.2/3.3.10 intel18/3.3.10 intel19.4/3.3.10 intel2017/openmpi-4.1.4/3.3.10_i8 oneapi-2023.0.0/3.3.10 loria/gcc7/fftw/3.3.10	Flex	gcc-11.2.0/2.6.4 gcc-8.4/2.6.4
GEOS	3.11.0	GlobalArrays	oneapi-2023/5.8.2
GMP	6.2.1 gcc-8.4/6.2.1	Go	1.20.1
Gperf	gcc-8.4/3.1	GSL	gcc-11.2.0/2.7.1 gcc-12.2/2.7.1 gcc-8.4/2.7.1 gcc-9.2.0/2.7.1 intel-2017/2.7.1 intel-oneapi-2023.0.0/2.7.1
Guile	gcc-8.4/2.2.7 gcc-8.4/3.0.9	HDF5	1.10.1/intelmpi/intel17 gcc-9.2.0/openmpi-4.1.4/1.12.2 gcc-11.2/openmpi-4.1.4/1.12.2 intel-2017.4.196/1.12.2 gcc-8.4/1.14.1-2_nompi gcc-8.4/1.14.1-2 oneapi-2023.0.0/1.14.1-2 oneapi-2023.0.0/openmpi-1.1.1/1.14.4-3
Help2man	gcc-8.4/1.49.3 gcc-11.2.0/1.49.3 gcc-12.2/1.49.3	HWLOC	1.11.11/intel-19.0.4.243 2.6.0 oneapi/2023.0.0/2.6.0 gnu-12.2/2.8.0 gnu-12.2/2.9.3
Hypre	2.10.0b 2.11.2 gcc-11.2.0/2.27.0	ImageMagick	gnu-12.2/7.1.1-19
Kahip	gcc-11.2.0/2.12	Libdrm	2.4.110
Libelf	std	Libev	4.33 gcc-8.4/4.33 gnu-12.2/4.33
Libevent	2.1.12 gcc-8.4/2.1.12 gnu-12.2/2.1.12 oneapi/2023.0.0/2.1.12	Libfabric	gcc-9.2.0/1.17.0 gcc-8.4/1.18.0 gnu-12.2/1.18.0 gnu-12.2/1.19.0
Libffi	3.4.2 gcc-8.4/3.4.4	Libibverbs	1.2.1 gcc-8.4/1.2.1 gcc-9.2.0/1.2.1 gnu-12/1.2.1 oneapi/2023.0.0/1.2.1
libjpeg	9f	libnl	3.2.25 gcc-8.4/3.2.25 gcc-9.2.0/3.2.25 gnu-12.2/3.2.25 oneapi/2023.0.0/3.2.25
libpciaccess	std	libpng	1.6.37
libtool	2.4.6 gcc-8.4/2.4.6	libunistring	1.0 gcc-8.4/1.1
libvdwxc	gcc-11.2.0/0.4.1	libwayland	std
libxc	gcc-11.2.0/4.3.4 intel-2017.4.196/4.3.4 gcc-11.2.0/5.2.3 intel-2017.4.196/5.2.3 gcc-8.4/6.2.0 gcc-11.2.0/6.2.2 oneapi/2023.0.0/6.2.2	libxml2	2.9.13
libxsmm	intel-2017.4.196/1.17	llvm	14.0.0
llvm_clang	14.0.0	lua	gcc-11.2.0/5.4.4
m4	gcc-8.4/1.4.19 gnu-12.2/1.4.19	metis	4.0.3 gcc-11.2.0/5.1.0
mkl	2017.1.132 2017.4.196 2018.0.128 2018.5.274 2019.4	mpc	1.1.0_gcc84_spack 1.2.1
mpfr	3.1.6_gcc84_spack 4.1.0	netcdf	oneapi-2023.0.0/hdf5-1.10/4.9.2 netcdf-c/4.7.2 netcdf-fortran/4.5.2 pnetcdf/oneapi-2023.0.0/1.12.3 nco/4.7.9
nfft	3.4.0/intel17	numactl	gcc-8.4/2.0.16 gnu-11.2/2.0.16 gnu-12.2/2.0.16 oneapi/2023.0.0/2.0.16
openblas	0.3.7 loria/gcc7/openblas/0.3.17 gcc-9.2.0/0.3.17 gcc-11.2.0/0.3.17 gcc-8.4/0.3.23 gnu-12.2/0.3.23	openssl	gcc-11.2.0/3.0.1 gcc-12.2/3.1.3
pcre2	10.39	perl	gcc-11.2.0/5.34.0 gcc-12.2/5.38.0
petsc	gcc-11.2/openmpi-4.1.4/3.17.3 gcc-11.2/openmpi-4.1.4/3.18.4 gcc-9.2.0/openmpi-4.1.4/3.18.5 gcc-13.2/mpich-3.3.2/3.20.4	pixman	0.40.0
plumed	2.3.1	pmix	4.1.2 oneapi/2023.0.0/4.1.2 gnu-12.2/5.0.1
proj	9.0.1	psm2	gcc-8.4/11.2.230
pytorch	cuda-9.0 / 1.0	qd	gcc-8.4 / 2.3.23 gcc-11.2.0 / 2.3.23 gcc-12.2 / 2.3.23 intel-2017 / 2.3.23
rdma-core	gcc-12.0 / 48.0	scalapack	loria/gcc7/scalapack/2.2.0 ompi-4.1.5/gcc-8.4/openblas-0.3.23/2.2.0 openmpi-4.1.4/gcc-9.2.0/openblas-0.37/2.2.0 openmpi-4.1.2/gcc-11.2.0/openblas-0.37/2.2.0 openmpi-4.1.4/gcc-11.2.0/openblas-0.37/2.2.0 ompi-4.1.5/gnu-12.2/openblas-0.3.23/2.2.0 openmpi-4.1.4/oneapi-2023/2.2.0 lapack/gnu-13.2/3.11.0
scotch	gcc-11.2.0 / 7.0.3	slepc	gcc-11.2/openmpi-4.1.4/3.17.3 gcc-13.2/mpich-3.3.2/3.20.1
spglib	gcc-9.2.0 / 2.0.2 intel-2017.4.196 / 2.0.2	sqlite	3380200 3390000 gcc-12.0 / 3.44.0
SuiteSparse	gcc-11.2 / 4.5.4 intel-2017.4.196 / 4.5.4	tbb	2018.5.274 2019
tcl	8.6.12	tcltk	gcc-8.4 / 8.6.12
TensorRT	8.6.1.6	tiff	4.4.0 4.6.0t
tk	8.6.12	tmux	std
ucx	gcc-9.2.0 / 1.13.1 gcc-8.4 / 1.14.0 gnu-12.2 / 1.14.0 gnu-12.2 / 1.15.0	wannier90	gcc-11.2 / 3.1.0 intel-2017.4 / 3.1.0 intel-2019.4 / 3.1.0 oneapi-2023.0.0 / 3.1.0 oneapi-2023.0.0/openmpi-4.1.1 / 3.1.0
wayland-protocols	std	xblas	gcc-8.4 / 1.0.248
zlib	1.2.11

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Compilateurs

Compilateur	Version(s)	Compilateur	Version(s)
aocc	3.2.0	cuda	6.5 7.0 7.5 8.0 9.0 9.1 9.2 10.1 gnu-12.2/11.8.0 gnu-12.2/12.1.1 intel-oneapi-2023.0.0/10.2.89 intel-oneapi-2023.0.0/11.8.0 intel-oneapi-2023.0.0/12.1.1
gcc	4.8.5 4.9.4 5.4.0 6.3.0 6.5.0 7.1.0 7.4.0 8.4.0 9.2.0 11.2.0	gnu	12.2 13.2
intel	2017.1.132 2017.4.196 2018.0.128 2018.3 2018.4 2018.5 2019.4 2019.4_fixed 2019.4-full oneapi/2023.0.0	json-fortran	gcc-11.2.0/std
nvhpc-nompi	24.3	pgi	17.10

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MPI

Bibliothèque MPI	Version(s)	Bibliothèque MPI	Version(s)
intelmpi	2017.1.132 2017.4.196 2018.0.128 2018.5.274 2019.4	openmpi	2.1.0/intel (intel-2017.1.132) 2.1.1/gcc-4.9.4 2.1.1/gcc/5.4.0 2.1.1/gcc/6.3.0 2.1.1/gcc/7.1.0 2.1.1/intel 3.0.0/intel18 3.0.1/gcc/5.4.0 3.0.1/gcc/6.3.0 3.0.1/gcc/7.1.0 gcc-9.2.0/3.1.4 intel-19.0.4.243/3.1.4 4.0.0/gcc/7.1.0 4.1.0rc5-mlnx/gcc/4.8.5 gnu-12.2/4.1.1 oneapi/2023.0.0/4.1.1 gcc7/4.1.2 gcc-11.2.0/4.1.2_extra gcc-11.2.0/4.1.2 aocc/4.1.2 intel2019/4.1.2 gcc-9.2.0/4.1.4 gcc-11.2.0/4.1.4 intel2017/4.1.4_i8 oneapi/2023.0.0/4.1.4 gcc-8.4/4.1.5 gnu-12.2/4.1.5_cuda_11.8.0 gnu-12.2/4.1.5_cuda gnu-12.2/4.1.5_plain gnu-12.2/4.1.5 gnu-12.2/4.1.6_cuda_12.1 gnu-13.2/4.1.6
mpich	3.3.2 gcc-11.2/4.2.0

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Applications

Application	Version(s)	Application	Version(s)
abaqus*	2017	abinit	8.10.2 9.10.3
amber*	16/hf-intel.2017.4 16/intel17 16/ivy-intel.2017.4 16/k20 16/std-intel.2017.4 gcc-8.4/amber22-cuda-mpi intel-2017.4.196/22.4-amber-string	ansys	17.2 18.0 19.1 24.2
atat	3.36	atsas	3.2.1-1 3.3.0
cp2k	cp2k/4.1/intel17 6.1	crystal*	14
castep*	intel-2019.4/24.1
damask	3.0.1	dftb+	intel19/21.2
		fds	6.7.0/intel.2017.4 intel-2018/onh76-mod-FDS6.7.5 gcc-11.2.0/2022.02.09 (version 6.7.9, OpenMPI v4.1.4) oneapi-2023.0.0/FDS/6.9.1 oneapi-2023.0.0/SMV/6.9.1
FEFF	9.0	freefem	3.60 3.62 4.11 4.14
gaussian*	09/pgi 16	glslang	std (gcc-11.2.0 - v.11.12.0)
gmsh	3.0.6	gnuplot	gcc-11.2.0/5.4.6
gromacs	old/5.1.4-plumed 5.1.4-plumed/gcc-6.3.0 2016.3/gcc-6.3.0 gcc-12.2/swaxs-release-2021 gcc-11.2.0/2022.3 gcc-11.2.0/2022.4 gcc-11.2.0/2022.6 gcc-12.2/2023.2-cuda oneapi-2023.03/2023.2	jmol	std
julia	1.10.3/binary	lammps	11Aug17/intel_cpu_intelmpi 2018/lammps_2018_INTELMPI mpi/3Mar2020_fix_femto3D mpi/23Jun2022_update1 mpi/23Jun2022_update2 mpi/23Jun2022 rtx/23Jun2022 mpi/patch_22Dec2022 liggghts/3.8.2
matlab*	r2017b r2019b r2024a	mdespresso	gcc-9.2.0/4.1.2 gcc-11.2.0/4.1.2 gcc-11.2.0/4.2.0
mess	intel-2017/std	mothur	1.40.5
mumax	3.10b	namd	gnu-8.4/cuda-10.1/3.0b2_singlenode_SMP_cuda gnu-9.2/cuda-10.1/2.14 CPU/2.14 GPU/2.15
netpbm	gcc-8.4/10.73.43	openbabel	gcc11/3.1.1 gcc7/3.1.1
openfoam	1912 openfoam-esi/v2206 openfoam-esi/v2212 openfoam-esi/v2306 openfoam-esi/v2312 2.2.2/openmpi-2.1.1-gcc-4.9.4 4.1/intelmpi17-gcc-6.3.0 5.0/intelmpi17-gcc-6.3.0 7.0 (openmpi/2.1.1/gcc/7.1.0) foam-extend/4.0/openmpi-2.1.1-gcc-4.9.4 fluidfoam/std	openmolcas	oneapi-2023/24.02
orca	6.0.1 OpenMPI(4.1.6)+Oneapi-23	python	intel/2017.3/2.7 intel/2019/2.7 intel/2019/3 intel/2017.3/3.5 3.6/anaconda gcc-11.2.0/3.10.2 gnu-13.2/3.11.9 gcc-12.2/3.12.0
quantum-espresso*	5.3.0/intel17 6.0/intel17 6.6/intel19 intel-2017.4.196/7.1 gcc-11/7.2 intel-2017.4.196/7.2 oneapi/2023.0.0/7.2 oneapi/2023.0.0/7.3.1	R	3.5.2 4.1.3
relion	4.0 5.0	shengbte	gcc-9.2.0/std intel-2017.4.196/std
siesta	4.0.1/gcc-4.9.4 4.0.1/intel17 4.0.1/intel18 intel2017/4.0.1 gcc-11.2.0/4.1.5 intel2017/4.1.5 gcc-11.2.0/5.0.0	Smilei	std
swig	gcc7/4.02 gcc11/4.02	uspex	9.4.4
valgrind	gcc-9.2.0/3.19.0 gnu-11.2.0/3.19.0 oneapi/2023.0.0/3.19.0 gcc-8.4/3.21.0 gnu-12.2/3.21.0	vasp5*	5.4.1/intel17 5.4.4/gpu 5.4.4/hf 5.4.4/sky 5.4.4/std intel2017/5.4.4_i8 intel2017/5.4.4-VTST intel2017/5.4.4
vasp6*	vasp6/dftd4/gcc-11.2/3.7.0 vasp6/dftd4/oneapi-2023.0.0/3.7.0 vasp6/dftd4/oneapi-2023.0.0/openmpi-4.1.1/3.7.0 vasp6/gcc-11.2/6.4.3 vasp6/intel-2017/6.4.3 vasp6/oneapi-2023.0.0/6.4.3 vasp6/oneapi-2023.0.0/6.4.3-VASPsolv vasp6/oneapi-2023.0.0/openmpi-4.1.1/6.4.3	vesta	std
vtk	9.2	xcrysden	std
xmgrace	std	xtb	6.4.1 6.7.1

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Outils

Outil	Version(s)	Outil	Version(s)
advisor	2018.4.0 2019	anaconda	2/5.1 3/5.1 anaconda3/2022.05 anaconda3/2024.02 anaconda3/2024.06
bash	5.2	Boltz2	20.2.1
caffe	2.0 caffe1/cpu-only caffe1/gpu caffe1/18-09	doxygen	gnu-11.2/1.11.0 gnu-12.2/1.11.0
firefox	65	ffmpeg	4.1.1
gabedit	std (2.1.0)	git	2.15.1 gcc-48/2.41.0
inspector	2018 2018.4.0 2019	idb	2018 2019
intel	runme_xeon64	ior	3.2.0
latex	std	make	gcc-4.8.5/4.4 gcc-8.4/4.4 gnu-13.2/4.4.1
mercurial	6.3.2	mmg	5.4.3
molden	std	molekel	5.4.0
nano	8.0	nvim	std
paraview	4.4.0 5.10.1	pigz	2.8
qt	5.13.1
subversion	1.12.2	vmd	1.9.3
vtk	8.2.0	vtune-amp	2018 2018.4.0 2019

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