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" <[email protected]> To: "users" <[email protected]> Sent: Monday, July 22, 2024 11:09:06 AM Subject: [QE-users] Pencil decomposition 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. Im attaching the input and output files of the same. kindly have a look into these. Thanking you, Suraj Research student, IIT Kharagpur _______________________________________________ The Quantum ESPRESSO community stands by the Ukrainian people and expresses its concerns about the devastating effects that the Russian military offensive has on their country and on the free and peaceful scientific, cultural, and economic cooperation amongst peoples _______________________________________________ Quantum ESPRESSO is supported by MaX (www.max-centre.eu) users mailing list [email protected] https://lists.quantum-espresso.org/mailman/listinfo/users _______________________________________________ The Quantum ESPRESSO community stands by the Ukrainian people and expresses its concerns about the devastating effects that the Russian military offensive has on their country and on the free and peaceful scientific, cultural, and economic cooperation amongst peoples _______________________________________________ Quantum ESPRESSO is supported by MaX (www.max-centre.eu) users mailing list [email protected] https://lists.quantum-espresso.org/mailman/listinfo/users
