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INSTALL.md

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Xcompact3d installation documentation

Source Download and Compilation

Xcompact3d sources can be acquired by cloning the git repository:

$ git clone https://github.com/xcompact3d/Incompact3d

If you are behind a firewall, you may need to use the https protocol instead of the git protocol:

$ git config --global url."https://".insteadOf git@

Be sure to also configure your system to use the appropriate proxy settings, e.g. by setting the https_proxy and http_proxy variables.

Minimum requirements

cmake version 3.20 and above

a recent modern Fortran compiler (ie, gfortran 9 and above

The compiling process

The build system for Xcompact3d is based on CMake. It is good practice to directly point to the MPI Fortran wrapper that you would like to use to guarantee consistency between Fortran compiler and MPI. This can be done by setting the default Fortran environmental variable

$ export FC=my_mpif90

To generate the build system run

$ cmake -S $path_to_sources -B $path_to_build_directory -DOPTION1 -DOPTION2 ...

for example

$ cmake -S . -B build

By defult the build system will also download 2DECOMP&FFT and perform the build install using the Generic FFT backend. Version 2.0.3 is the default for Xcompact3d building and all tests are performed against this specific version. If the directory does not exist it will be generated and it will contain the configuration files. The configuration can be further edited by using the ccmake utility as

$ ccmake $path_to_build_directory

To compile the sources

$ cmake --build $path_to_build_directory -j <nproc>

appending -v will display additional information about the build, such as compiler flags.

After building the library can be tested. Please see the section Testing for the available options. Finally the code can be installed using

$ cmake --install $path_to_build_directory

By default the installation directory is located under

$ $path_to_build_directory/opt

and it will cointain:

  • The bin directory with the execulables xcompact3d for the main execution of the code;
  • The example directory with some examples of input .i3d files.

To change the default location the CMAKE_INSTALL_PREFIX can be modified using

$ cmake --build $path_to_build_directory -DCMAKE_INSTALL_PREFIX=$path_to_my_opt

or via the ccmake interface.

Testing

The testing suite for the xcompact3d solver is composed by 14 tests as follows

  1. Atmospheric Boundary layer (ABL) in neutral conditions (new set-up)
  2. Atmospheric Boundary layer (ABL) in neutral conditions (old set-up)
  3. Atmospheric Boundary layer (ABL) in convective conditions (old set-up)
  4. Atmospheric Boundary layer (ABL) in stable conditions (old set-up)
  5. Differentially heated cavity
  6. Turbulent Channel Flow with X as streamwise direction
  7. Turbulent Channel Flow with Z as streamwise direction
  8. Flow around a circular cylinder
  9. Flow around a moving circular cylinder
  10. Lock exchange
  11. Mixing Layer
  12. Turbulent Boundary Layer (TBL)
  13. Wind Turbine
  14. Taylor Green Vortex (TGV)

By default only the Taylor Green Vortex case is activated, while the full testing suite needs to be enable by using the BUILD_TESTING_FULL flag as

$ cmake --build $path_to_build_directory -DBUILD_TESTING_FULL=ON

or by using ccmake.

The tests are performed using CTest as

$ ctest --test-dir $path_to_build_directory

Every test is performed in a dedicated working directory that is located under the following path

$ /path/to/build/RunTests

All standard outputs from all test runs are collated under the file

$ /path/to/build/Testing/Temporary/LastTest.log

together with additional files detailing additional informations such as the elapse time for the different tests and the eventual failed cases.

Build with an already present 2DECOMP&FFT

If different options from the default (i.e. Generic FFT backend and double precision) are necessary, 2DECOMP&FFT needs to be pre-installed as described here. Alternative available options are:

  • FFTW or MKL for the FFT backend engine;
  • ADIOS2 instead of MPI-IO for the IO operations;
  • SINGLE precision for the build.

2DECOMP&FFT installation provides CMake configuration file that can be used to find the installation directory. To allow the find_package of CMake to work the following variable needs to be set as

$ export decomp2d_DIR=/path/to/2decomp/install/opt/lib/decomp2d

Depending on the system lib can be lib64.

Note

Some of the alternative options for FFT and IO backends required additional input.

  • For MKL FFT the location of the MKL libraires needs to be passed to the configure as for the 2DECOMP&FFT installation with
$ export MKL_DIR=${MKLROOT}/lib/cmake/mkl
  • For ADIOS the installation directory needs to be passes to the configure as
$ cmake -S . -B ./build -DIO_BACKEND=adios2 -Dadios2_DIR=/path/to/adios2/install/lib/cmake/adios2

Both steps are necessary for correct linking of the target xcompact3d with the libraries

Known issues

The tests performed under CTest rely on the CMake ability to properly find the MPI executable mpirun. The build system will try to enforce consistency between the MPI Fortran used and the MPI executable, for the first iteration of the configure step. In case no MPI executable is not found or correct please modify manually the MPIEXEC_EXECUTABLE by using

$ cmake -S . -B build -DMPIEXEC_EXECUTABLE=/correct/path/to/mpirun

or by using

$ ccmake $path_to_build_directory