Correct sintax: mpirun -np 4 < scf.in > scf.out Check documentatio. The filenames are not paramsters, but IO sources .. ________________________________ From: users <users-boun...@lists.quantum-espresso.org> on behalf of M.Golmoammadi <mahsa.arad1...@gmail.com> Sent: Friday, November 27, 2020 7:50:58 PM To: users@lists.quantum-espresso.org Subject: [QE-users] QE didn't generate output files in scf calculation
Hi I am new to quantum espresso, and as the first step, I wanna calculate SCF file calculation and get output files. I entered the following command in the terminal, but after passing up to 8 hours I didn't have any output file. Can you help me to solve this problem?? ========== entered command: $ $ mpirun -np 2 pw.x Sample-1.pw.in<http://Sample-1.pw.in> Sample-a.pw.out what appeared in terminal: Program PWSCF v.6.3 starts on 26Nov2020 at 10:12:45 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); "P. Giannozzi et al., J. Phys.:Condens. Matter 29 465901 (2017); URL http://www.quantum-espresso.org<http://www.quantum-espresso.org/>", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 2 processors MPI processes distributed on 1 nodes R & G space division: proc/nbgrp/npool/nimage = 2 Waiting for input... thanks ahead Mahsa Golmohammadi Amirkabir University of Technology _______________________________________________ Quantum ESPRESSO is supported by MaX (www.max-centre.eu) users mailing list users@lists.quantum-espresso.org https://lists.quantum-espresso.org/mailman/listinfo/users