Installation

Download

The Yambo source code can be downloaded from several sources. Refer to the dedicated page for further informations.

Quick Configuration (with long compilation)

Yambo can make good use of external libraries like FFTW, LAPACK, netCDF, HDF5, IOTK, LIBXC and so on. It is worth identifying if they are already installed on your system, especially for HPC machines.

If you are lucky, the configure script will successfully find the best compiler options. Moving in the source directory you can configure quickly Yambo and start the compilation simply with these two commands:

$ ./configure
$ make core

This leads to a very long compilation because Yambo will download and compile all the required libraries. Executables are found in the bin folder. To check that it works:

The simplest install of yambo is the one using internal libraries and compiled with gfortran. This is useful to test the code on your local machine, or in order to easily follow the yambo tutorials.

$ ./bin/yambo

Cannot access CORE database (SAVE/*db1 and/or SAVE/*wf)

This is the expected error message since we didn't provide the input database needed by Yambo.

Custom Configuration

In general, however, some fine-tuning will be necessary to link the requested libraries. It is also possible to customize the configurazion using configure options that allow you to enable or disable some features. In order to have a complete list of all those options use the command

$./configure --help

After configure, you can also edit the config/setup file. You can run the following configure script (named for example yambo_install.sh) which should work for yambo 5.0 on Linux machines:

YAMBO_EXT_LIBS="/user/defined/path/for/internal/libs"
./configure FC=gfortran \
 --with-extlibs-path=$YAMBO_EXT_LIBS \
 --enable-keep-extlibs \
 --enable-time-profile \
 --enable-msgs-comps \
 --enable-keep-src \
 --enable-memory-profile \
 --enable-int-linalg \
 --enable-par-linalg \
 --enable-netcdf-output \
 --enable-slepc-linalg

Specific Configuration options

Here some info about the different configuration options:

• Details on configure options for yambo

Here is a list of specific configuration options.

• Configure options for yambo 5.0
• Configure options for Yambo 4.4
• Configure options for Yambo v4 and v3

Further informations

• Install Yambo on Ubuntu/LinuxMint (2021, Yambo 5.1)
• Install Yambo on Ubuntu/LinuxMint with Intel compiler (2021, Yambo 5.1)
• Install Yambo on Ubuntu/LinuxMint with NVfortran compiler (2024, Yambo 5.2)
• Install Yambo in IRENE machine (TGCC Joliot Curie)
• Compile the libraries in Yambo independently
• Install Yambo with external HDF5 and NetCDF libraries
• Static Yambo
• Machine specific configure scripts
• Compiler specific flags

Known Issues

• gfortran 4.4 or earlier versions
  Yambo 5.x uses different Fortran constructs, as for example "allocate(x, source=y)", that are not supported by gfortran 4.4 and its earlier versions, please update your gfortran or use a different compiler.

• NetCDF/HDF5 in Ubuntu 20.4
  Internal NetCDF and HDF5 libraries in LinuxMint 20.1/Ubuntu 20.4 have problems with Yambo please use internal Yambo libraries

• Quantum-Espresso at GAMMA point
  In Quantum-Espresso if you perform a SCF calculation using the option "KPOINTS gamma" you should use the same option for the NSCF otherwise Yambo gets confused with the g-vectors. If you need more k-points in the NSCF just re-run the SCF with "KPOINTS automatic /1 1 1 0 0 0" and the run NSCF with a finite k-grid

• Internal MAC-OSX libraries
  At present it is no possible to compile Yambo with internal macos libraries Indeed, no include/system/netcdf.mod file is present in the system. The problem is due to Autoconf setting which automatically searches for versions of the needed libraries in your system despite the specific options given to configure. Then, it would compile the internal hdf5, then find an external netcdf, then try to compile netcdf-fortran creating various conflicts.

• gfortran compiler on MAC-OSX
  There are different problems compiling Yambo with "gfortran" variant of the compiler/libraries with MacPorts, a possible solution it is to install the "gcc8" variant of these libraries and compilters.
  More details here: http://www.yambo-code.eu/forum/viewtopic.php?t=1767

• Input file generation on MacOSX
  There are two issues on input file generation: 1) when you generate an input file on MacOSX Yambo is not able to read values already present in the input file, and reset them to the default value; 2) if yambo and ypp have the same option to generate an input file the code get confused. Please use long input strings, for example "yambo -optics" instead of "yambo -o".

• Parallel compilation with nvfortran for nproc >=8
  Compiling yambo in parallel with nvfortran and 8 or more processor give some problem. Please compile with less processors