In the command line you should add the following:
-pd .true.
For eg.
$/path_to_your_mpirun/mpirun -np 4 /path_to_your_qe/pw.x -pd .true. <
name_of_input_file > name_of_output_file
With regards,
Prasenjit
- Original Message -
From: "Suraj P"
To: "users"
Sent: Monday, July 22, 2024 11
> Content-Type: text/plain; charset="utf-8"
>
> Dear QE users,
> Im getting an error when I have done vc-relax calcualtion for Ni2P
> hexagonal lattice asking me to use pencil decomposition. Under which cards
> and what comment should be written to eliminate this error.
>
*Hi Dear QE experts,*
*I ran a job file of silicon (4*4*4) supercell (total 128 atoms) and ended
up with the following error.*
Abort(336148997) on node 40 (rank 40 in comm 0): Fatal error in
PMPI_Comm_free: Invalid communicator, error stack:
PMPI_Comm_free(137): MPI_Comm_free(comm=0x7ffc4cef5528)
