Program PROJWFC v.6.1 (svn rev. 13369) starts on 9Jan2018 at 13:26: 2 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 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Reading data from directory: ./g_fe_pd_11.save Info: using nr1, nr2, nr3 values from input Info: using nr1, nr2, nr3 values from input IMPORTANT: XC functional enforced from input : Exchange-correlation = PBE ( 1 4 3 4 0 0) Any further DFT definition will be discarded Please, verify this is what you really want file Fe.pbe-nd-rrkjus.UPF: wavefunction(s) 4S renormalized file Pd.pbe-n-rrkjus_psl.0.2.2.UPF: wavefunction(s) 4D renormalized Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 200 80 21 24072 6092 843 Max 201 81 22 24077 6098 850 Sum 9609 3847 1039 1155577 292553 40629 Check: negative/imaginary core charge= -0.000005 0.000000 negative rho (up, down): 6.401E-05 0.000E+00 Gaussian broadening (read from file): ngauss,degauss= -1 0.005000 Calling pprojwave .... Problem Sizes natomwfc = 188 nbnd = 120 nkstot = 365 npwx = 774 nkb = 400 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine davcio (10): error while reading from file "/home/external/iiitm/santhib/g_fe_pd_11/./g_fe_pd_11.wfc46" %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... application called MPI_Abort(MPI_COMM_WORLD, 1) - process 45 [0:ycn179.en.yuva.param] unexpected disconnect completion event from [45:ycn130.en.yuva.param] Assertion failed in file ../../dapl_conn_rc.c at line 1128: 0 internal ABORT - process 0 [16:ycn175.en.yuva.param] unexpected disconnect completion event from [45:ycn130.en.yuva.param] Assertion failed in file ../../dapl_conn_rc.c at line 1128: 0 internal ABORT - process 16