https://docs.hpc.gwdg.de/software_stacks/archive/nhr_lmod/rev24.05/index.htmlEmmy Core Modules Emmy Intel Modules Grete Core ModulesHugoenhttps://docs.hpc.gwdg.de/software_stacks/archive/nhr_lmod/rev24.05/emmy-p2-core/index.htmlMon, 01 Jan 0001 00:00:00 +0000https://docs.hpc.gwdg.de/software_stacks/archive/nhr_lmod/rev24.05/emmy-p2-core/index.htmlWarning This software revision is no longer updated but can still be loaded and used by running the following command before any module commands: export PREFERRED_SOFTWARE_STACK=nhr-lmod source /etc/profile We recommend to load the appropriate compiler and MPI module first: module load gcc/11.4.0 module load openmpi/4.1.6 The software packages loaded on each phase are optimized for the particular CPU architecture of that phase (e.g Intel Cascadelake or Intel Sapphirerapids).https://docs.hpc.gwdg.de/software_stacks/archive/nhr_lmod/rev24.05/emmy-p2-intel-impi/index.htmlMon, 01 Jan 0001 00:00:00 +0000https://docs.hpc.gwdg.de/software_stacks/archive/nhr_lmod/rev24.05/emmy-p2-intel-impi/index.htmlWarning This software revision is no longer updated but can still be loaded and used by running the following command before any module commands: export PREFERRED_SOFTWARE_STACK=nhr-lmod source /etc/profile To load these modules you first need to load the intel stack: module load intel-oneapi-compilers/2023.2.1 module load intel-oneapi-mpi/2021.10.0 List of Modules Module Names Description Homepage cdo/2.2.2 cdo/2.2.2-hdf5-1.10 CDO is a collection of command line operators to manipulate and analyse Climate and NWP model Data. https://code.mpimet.mpg.de/projects/cdo eccodes/2.34.0 eccodes/2.34.0-hdf5-1.10 ecCodes is a package developed by ECMWF for processing meteorological data in GRIB (1/2), BUFR (3/4) and GTS header formats. https://software.ecmwf.int/wiki/display/ECC/ecCodes+Home globalarrays/5.8.2 Global Arrays (GA) is a Partitioned Global Address Space (PGAS) programming model. https://hpc.pnl.gov/globalarrays/ hdf5/1.10.7 hdf5/1.10.7-precise-fp hdf5/1.12.2 hdf5/1.14.3 hdf5/1.14.3-precise-fp HDF5 is a data model, library, and file format for storing and managing data. It supports an unlimited variety of data types, and is designed for flexible and efficient I/O and for high volume and complex data. https://portal.hdfgroup.org hpl/2.3 HPL is a software package that solves a (random) dense linear system in double precision (64 bits) arithmetic on distributed-memory computers. It can thus be regarded as a portable as well as freely available implementation of the High Performance Computing Linpack Benchmark. https://www.netlib.org/benchmark/hpl/ intel-oneapi-mkl/2023.2.0 Intel oneAPI Math Kernel Library (Intel oneMKL; formerly Intel Math Kernel Library or Intel MKL), is a library of optimized math routines for science, engineering, and financial applications. Core math functions include BLAS, LAPACK, ScaLAPACK, sparse solvers, fast Fourier transforms, and vector math. https://software.intel.com/content/www/us/en/develop/tools/oneapi/components/onemkl.html mumps/5.5.1 MUMPS: a MUltifrontal Massively Parallel sparse direct Solver https://mumps-solver.org nco/5.1.6 nco/5.1.6-hdf5-1.10 The NCO toolkit manipulates and analyzes data stored in netCDF-accessible formats https://nco.sourceforge.net/ ncview/2.1.9 Simple viewer for NetCDF files. https://cirrus.ucsd.edu/ncview/ netcdf-c/4.9.2 netcdf-c/4.9.2-hdf5-1.10 netcdf-c/4.9.2-hdf5-1.10-precise-fp netcdf-c/4.9.2-hdf5-1.12-precise-fp NetCDF (network Common Data Form) is a set of software libraries and machine-independent data formats that support the creation, access, and sharing of array-oriented scientific data. This is the C distribution. https://www.unidata.ucar.edu/software/netcdf netcdf-fortran/4.5.3-hdf5-1.10 netcdf-fortran/4.5.3-hdf5-1.10-precise-fp netcdf-fortran/4.6.1-hdf5-1.12-precise-fp netcdf-fortran/4.6.1-mpi NetCDF (network Common Data Form) is a set of software libraries and machine-independent data formats that support the creation, access, and sharing of array-oriented scientific data. This is the Fortran distribution. https://www.unidata.ucar.edu/software/netcdf osu-micro-benchmarks/7.3 The Ohio MicroBenchmark suite is a collection of independent MPI message passing performance microbenchmarks developed and written at The Ohio State University. It includes traditional benchmarks and performance measures such as latency, bandwidth and host overhead and can be used for both traditional and GPU-enhanced nodes. https://mvapich.cse.ohio-state.edu/benchmarks/ petsc/3.20.1-complex petsc/3.20.1-real PETSc is a suite of data structures and routines for the scalable (parallel) solution of scientific applications modeled by partial differential equations. https://petsc.org quantum-espresso/7.2 quantum-espresso/7.3.1 Quantum ESPRESSO is an integrated suite of Open-Source computer codes for electronic-structure calculations and materials modeling at the nanoscale. It is based on density-functional theory, plane waves, and pseudopotentials. https://quantum-espresso.org vasp/6.4.3 The Vienna Ab initio Simulation Package (VASP) is a computer program for atomic scale materials modelling, e.g. electronic structure calculations and quantum-mechanical molecular dynamics, from first principles. https://vasp.athttps://docs.hpc.gwdg.de/software_stacks/archive/nhr_lmod/rev24.05/grete-p2-core/index.htmlMon, 01 Jan 0001 00:00:00 +0000https://docs.hpc.gwdg.de/software_stacks/archive/nhr_lmod/rev24.05/grete-p2-core/index.htmlWarning This software revision is no longer updated but can still be loaded and used by running the following command before any module commands: export PREFERRED_SOFTWARE_STACK=nhr-lmod source /etc/profile We recommend to load the appropriate compiler and MPI module first: module load gcc/11.4.0 module load openmpi/4.1.6 The software packages loaded on each phase are optimized for the particular CPU and GPU architecture of that phase (e.g AMD Rome + A100 or Intel Sapphirerapids + H100).