Hi, I just wanted to use this library in molecular dynamics code like gromacs and Lammps.
I could build this library but MD codes somehow missed to use it.
Checked with ldd gmx_mpi it ignores this library.
Do I need to write a separate wrapper code or need to change gromacs or lammps code?
It will be a great help if you can provide the recipe for using it.
Hi, I just wanted to use this library in molecular dynamics code like
gromacsandLammps.I could build this library but MD codes somehow missed to use it.
Checked with
ldd gmx_mpiit ignores this library.Do I need to write a separate wrapper code or need to change gromacs or lammps code?
It will be a great help if you can provide the recipe for using it.