Usually when I get that it means there is a spelling error in the IONS part of my input file.
From: pw_forum-bounces at pwscf.org [mailto:[email protected]] On Behalf Of Mahmoud Hammouri Sent: Tuesday, June 04, 2013 12:33 PM To: pw_forum at pwscf.org Subject: [Pw_forum] parallel compilation Hi all, I'm trying to compile quantum espresso in parallel version, after using ./configure command i got this: Parallel environment detected successfully.\ Configured for compilation of parallel executables. After that I typed make all to get all executable which done without showing any errors. So I tried to run a relaxation system which is carbon nanotube using this command line: mpirun -np 8 pw.x cnt.inp Then, Program PWSCF v.5.0.2 (svn rev. 9392) starts on 4Jun2013 at 10:32: 1 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); URL http://www.quantum-espresso.org";, in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote.php Parallel version (MPI), running on 8 processors R & G space division: proc/nbgrp/npool/nimage = 8 Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Waiting for input... And it keep saying "waiting for input" for a very long time!! I found a way to check the above which is : pw.x -inp and the input file name, but I got this error: Program PWSCF v.5.0.2 (svn rev. 9392) starts on 4Jun2013 at 10:35:23 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); URL http://www.quantum-espresso.org";, in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote.php Parallel version (MPI), running on 1 processors Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Reading input from cnt.in %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine read_namelists (1): reading namelist ions %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... -------------------------------------------------------------------------- MPI_ABORT was invoked on rank 0 in communicator MPI_COMM_WORLD with errorcode 0. NOTE: invoking MPI_ABORT causes Open MPI to kill all MPI processes. You may or may not see output from other processes, depending on exactly when Open MPI kills them. Can any one help me out. Regards, Mahmoud -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20130604/64b860db/attachment.html
