Compiling on a local machine with the GNU compilers requires installing LAPACK and OpenMPI as well as setting the following environment variable by exporting it (in ~/.bashrc for instance):
- OMP_INC_DIR
On systems with the apt package manager these can be installed using
sudo apt-get install libblas-dev liblapack-dev libopenmpi-dev
You can locate the directories using whereis openmpi or, for lapack, whereis lapack
Then set the correct environment variables in ~/.bashrc with
export OMP_INC_DIR="/path/to/mpi/include/dir"
You will have to reopen any programs such as shells or Visual Studio Code to reload environment variables. Although for your bash shell you can also just type
source ~/.bashrc
Compiling on NERSC/Cori requires loading the correct modules for the following compilers:
- Cray:
module load PrgEnv-cray - Intel:
module load PrgEnv-intel impi
Note: Use module swap PrgEnv-intel PrgEnvl-cray if you need to swap rather than load.
Create a debug build by calling make debug. This will call the makefile with the flag DEBUG=1.