Software Modules #

Orca provides commonly used software through environment modules (using Lmod).

Basic module usage #

To obtain a complete list of all modules currently available on the system, run

module avail

To load a module, e.g. the GCC 13.2.0 compilers

module load gcc/13.2.0

To load a module, e.g. OpenMPI 4.1.4 compiled with GCC 13.2.0.  (this will automatically load the gcc-13.2.0 module) 

module load openmpi/4.1.4-gcc-13.2.0

To obtain a complete list of currently loaded modules

module list

which results in output like:

Currently Loaded Modulefiles:

 1) gcc/13.2.0                2) openmpi/4.1.4-gcc-13.2.0

To unload a module, e.g. OpenMPI 4.1.4 compiled with GCC 13.2.0.  (this will automatically unload the gcc-13.2.0 module, too) 

module unload openmpi/4.1.4-gcc-13.2.0

Software #

Modules load the selected software on each of these systems, mounted in the /software volume, where there is broad range of available software.  Some software in this volume include:

• GCC 13.2.0 with earlier versions available
• Python 3.9 with typical libraries such as numpy, scipy.
• Blast
• Matlab, R
• Latest versions of HDF5, NetCDF4, zlib, cmake, etc