New LAMMPS installation on Fermi: removed the limitation in the number of MPI processes per node

Dear Users, the LAMMPS molecular dynamics package has been recompiled on FERMI in both its MPI and MPI+OpenMP versions. The new installation now allows the full parallelism of LAMMPS to be exploited on Fermi, overcoming the previous limitation to 4 in the maximum number of MPI processes per node (as reported by some users). The FORTRAN package reax has been identified as the responsible for such limitation and hence it has been excluded from the installation (the force field ReaxFF keeps being provided by the reax/c module).

Best regards,

HPC User Support @ CINECA