The simulation stopped in seconds after I upgrade it to server, and in the Label "calculate_hirshfeld" not in keyword list *.castep it says 'Label "calculate_hirshfeld" not in keyword list'.

In the file, it says:

License checkout of MS_castep successful

Label "calculate_hirshfeld" not in keyword list

Current trace stack:

parameters_read

castep

Trapped SIGINT or SIGTERM. Exiting...

Trapped SIGINT or SIGTERM. Exiting...

MPI_CPU_AFFINITY set to RANK, setting affinity of rank 1 pid 1976 on host aepm-c1.materials.unsw.edu.au to cpu 1

MPI_CPU_AFFINITY set to RANK, setting affinity of rank 0 pid 1975 on host aepm-c1.materials.unsw.edu.au to cpu 0

MPI_CPU_AFFINITY set to RANK, setting affinity of rank 2 pid 1977 on host aepm-c1.materials.unsw.edu.au to cpu 2

MPI Application rank 0 exited before MPI_Finalize() with status 1

But I had choose tick 'population analysis' in 'properities' tab, could some ones tell me how to solve this issue?