diff --git a/PuReMD/src/parallelreax.c b/PuReMD/src/parallelreax.c index 12e092100b08b9896d7a4bb4a8c01c73ca173ad7..359aa1683f9489e0e11f0da53ed52804f2af338f 100644 --- a/PuReMD/src/parallelreax.c +++ b/PuReMD/src/parallelreax.c @@ -215,7 +215,9 @@ int main( int argc, char* argv[] ) Evolve( system, control, data, workspace, lists, out_control, mpi_data ); Post_Evolve(system, control, data, workspace, lists, out_control, mpi_data); - if( system->my_rank == MASTER_NODE ) + if ( system->my_rank == MASTER_NODE + && out_control->energy_update_freq > 0 + && data->step % out_control->energy_update_freq == 0 ) { total_itr += data->timing.cm_solver_iters; }