Browse the tests
The codes listed below below were tested on January 14, 2025. PLUMED-TESTCENTER tested whether the current and development versions of the code can be used to complete the tests for each of these codes.
| Name of Program | Short description | Compiles | Passes tests |
|---|---|---|---|
| gromacs | A free and open-source software suite for high-performance molecular dynamics and output analysis. |   |
  |
| gromacs-vanilla | A free and open-source software suite for high-performance molecular dynamics and output analysis. Form the 2025 comes with a feature-reduced version of the plumed patch | |
|
| i-pi | A universal force engine interface that can be used to sample thermodynamic ensembles once it is coupled with a function for calculating the energies and forces | |
  |
| lammps | The Large-scale Atomic/Molecular Massively Parallel Simulator. An MD code that is often used for materials modelling. | |
|
| quantum_espresso | An integrated suite of Open-Source computer codes for electronic-structure calculatiosn and materials modelling at the nanoscales that uses density-functional theory, plane waves and pseudopotentials. | |
  |
| simplemd | A Lennard Jones molecular dynamics code that is part of PLUMED. | |
|
Building PLUMED
When the tests above are run PLUMED is built using the install plumed action.
- name: Install plumed
uses: Iximiel/install-plumed@v1
with:
CC: "ccache mpicc"
CXX: "ccache mpic++"
suffix: "$"
version: "$"
extra_options: --enable-boost_serialization --enable-fftw --enable-libtorch LDFLAGS=-Wl,-rpath,$LD_LIBRARY_PATH --disable-basic-warnings