Reply To: multi-block approach
Good to hear that the single GPU run works (although I am worried about the NaN values for average energy and density in the log – this should not happen so there may be a separate issue)
The reason for only ever getting a single block with this config is given by PARALLEL_MODE := NONE. i.e. MPI is not enabled. The same way that MPI is required for multi-CPU / node execution it is also required for multi-GPU execution.