Universidad Central "Marta Abreu" de Las Villas Dirección de Informatización Build and install scientific software with EasyBuild in HPC systems www.uclv.hpc.cu Ing. Javier Antonio Ruiz Bosch
Scientific software installations for a diverse user base can be • Tedious • Repetitive • Error-prone • Time-consuming Only source code Installation procedure Scientific software
To maintain the software in an HPC environment, a tool is required that offers: • Dependency handling. • Sharing implementations of installation procedures
Lmod: based on Lua, provides a convenient way to dynamically change the user environment through modules. This includes easily adding or removing directories to environment variablesPATH, LIBRARY_PATH, LD_LIBRARY_PATH, etc. prepend_path("CPATH","/opt/easybuild/software/GCCcore/6.3.0/include") prepend_path("LD_LIBRARY_PATH","/opt/easybuild/software/GCCcore/6.3.0/lib") prepend_path("LD_LIBRARY_PATH","/opt/easybuild/software/GCCcore/6.3.0/lib64") prepend_path("LIBRARY_PATH","/opt/easybuild/software/GCCcore/6.3.0/lib") prepend_path("LIBRARY_PATH","/opt/easybuild/software/GCCcore/6.3.0/lib64") prepend_path("MANPATH","/opt/easybuild/software/GCCcore/6.3.0/share/man") prepend_path("PATH","/opt/easybuild/software/GCCcore/6.3.0/bin") $ module load GCC https://www.tacc.utexas.edu/research-development/tacc-projects/lmod HPC: Environment modules (Lmod)
The user can install their own applications using the Easybuild module or using the traditional Linux compilation / installation mode. $ module load EasyBuild $ eb GROMACS-2016.3-foss-2016b-GPU-enabled-build -r www.uclv.hpc.cu $ eb GROMACS-2016.3-foss-2016b -r Basic usage and configuration