Program PWSCF v.5.1.1 starts on 4Feb2015 at 7:39:43 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 Parallel version (MPI), running on 720 processors K-points division: npool = 4 R & G space division: proc/nbgrp/npool/nimage = 180 wavefunctions fft division: fft and procs/group = 12 15 Waiting for input... Reading input from standard input 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 Atomic positions and unit cell read from directory: ./Ta3N5-vcrelax.save/ %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine pw_readfile (1): error opening xml data file %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... Rank 322 [Wed Feb 4 07:39:43 2015] [c8-1c2s0n0] application called MPI_Abort(MPI_COMM_WORLD, 1) - process 322 Rank 221 [Wed Feb 4 07:39:43 2015] [c11-2c0s2n2] application called MPI_Abort(MPI_COMM_WORLD, 1) - process 221 _pmiu_daemon(SIGCHLD): [NID 01824] [c8-1c2s0n0] [Wed Feb 4 07:39:43 2015] PE RANK 322 exit signal Aborted [NID 01824] 2015-02-04 07:39:43 Apid 44497766: initiated application termination Rank 374 [Wed Feb 4 07:39:43 2015] [c8-1c2s0n2] application called MPI_Abort(MPI_COMM_WORLD, 1) - process 374 Rank 168 [Wed Feb 4 07:39:43 2015] [c9-2c0s2n2] application called MPI_Abort(MPI_COMM_WORLD, 1) - process 168 Application 44497766 exit codes: 134 Application 44497766 exit signals: Killed Application 44497766 resources: utime ~30s, stime ~30s, Rss ~9008, inblocks ~666642, outblocks ~1772762