<html><head></head><body><div style="color:#000; background-color:#fff; font-family:HelveticaNeue, Helvetica Neue, Helvetica, Arial, Lucida Grande, Sans-Serif;font-size:16px"><div><span>Sir,</span></div><div dir="ltr"><span>I am getting MPI_ABORT was invoked on rank 0 in communicator MPI_COMM_WORLD <br id="yui_3_16_0_ym19_1_1489326652255_3606">with errorcode 1.</span></div><div dir="ltr"><span>when i try to do dos calculation.</span></div><div dir="ltr" id="yui_3_16_0_ym19_1_1489326652255_3665"><span><br></span></div><div dir="ltr" id="yui_3_16_0_ym19_1_1489326652255_3664"><span>scf run is quite ok</span></div><div dir="ltr" id="yui_3_16_0_ym19_1_1489326652255_3663"><span><br></span></div><div dir="ltr" id="yui_3_16_0_ym19_1_1489326652255_3723"><span>unfortunately after doing scf.in run, while doing dos calculation <br></span></div><div dir="ltr" id="yui_3_16_0_ym19_1_1489326652255_3673"><span><br></span></div><div id="yui_3_16_0_ym19_1_1489326652255_3223"><div id="yui_3_16_0_ym19_1_1489326652255_3685" dir="ltr">mcv@mcv-ThinkPad-T410:~/qe-6.1/ZnO$ dos.x dos.in <br></div><div dir="ltr" id="yui_3_16_0_ym19_1_1489326652255_3698">instead</div><div dir="ltr" id="yui_3_16_0_ym19_1_1489326652255_3699">mcv@mcv-ThinkPad-T410:~/qe-6.1/ZnO$ dos.x <dos.in <br></div><div dir="ltr" id="yui_3_16_0_ym19_1_1489326652255_3708"><br></div><div dir="ltr">then mpi process started but nothing was done, so i was forced to stop it. after that i am getting problem.<br></div><div id="yui_3_16_0_ym19_1_1489326652255_3674"><br></div><div id="yui_3_16_0_ym19_1_1489326652255_3222" dir="ltr"> &CONTROL<br id="yui_3_16_0_ym19_1_1489326652255_3304"> calculation = 'scf' ,<br id="yui_3_16_0_ym19_1_1489326652255_3305"> restart_mode = 'from_scratch' ,<br id="yui_3_16_0_ym19_1_1489326652255_3306"> outdir = '/home/mcv/qe-6.1/ZnO/' ,<br id="yui_3_16_0_ym19_1_1489326652255_3307"> wfcdir = '/home/mcv/qe-6.1/ZnO/' ,<br id="yui_3_16_0_ym19_1_1489326652255_3308"> pseudo_dir = '/home/mcv/qe-6.1/pseudo/' ,<br id="yui_3_16_0_ym19_1_1489326652255_3309"> prefix = 'ZnO' ,<br id="yui_3_16_0_ym19_1_1489326652255_3310"> disk_io = 'high' ,<br id="yui_3_16_0_ym19_1_1489326652255_3311"> verbosity = 'high' ,<br id="yui_3_16_0_ym19_1_1489326652255_3312"> /<br id="yui_3_16_0_ym19_1_1489326652255_3313"> &SYSTEM<br id="yui_3_16_0_ym19_1_1489326652255_3314"> ibrav = 4,<br id="yui_3_16_0_ym19_1_1489326652255_3315"> celldm(1) = 6.139719,<br id="yui_3_16_0_ym19_1_1489326652255_3316"> celldm(3) = 1.60265,<br id="yui_3_16_0_ym19_1_1489326652255_3317"> nat = 4,<br id="yui_3_16_0_ym19_1_1489326652255_3318"> ntyp = 2,<br id="yui_3_16_0_ym19_1_1489326652255_3319"> ecutwfc = 40 ,<br id="yui_3_16_0_ym19_1_1489326652255_3320"> ecutrho = 160 ,<br id="yui_3_16_0_ym19_1_1489326652255_3321"> nbnd = 26,<br id="yui_3_16_0_ym19_1_1489326652255_3322"> tot_charge = 0.000000,<br id="yui_3_16_0_ym19_1_1489326652255_3323"> occupations = 'smearing' ,<br id="yui_3_16_0_ym19_1_1489326652255_3324"> degauss = 0.01 ,<br id="yui_3_16_0_ym19_1_1489326652255_3325"> smearing = 'fermi-dirac' ,<br id="yui_3_16_0_ym19_1_1489326652255_3326"> /<br id="yui_3_16_0_ym19_1_1489326652255_3327"> &ELECTRONS<br id="yui_3_16_0_ym19_1_1489326652255_3328"> conv_thr = 1.D-10 ,<br id="yui_3_16_0_ym19_1_1489326652255_3329"> mixing_mode = 'plain' ,<br id="yui_3_16_0_ym19_1_1489326652255_3330"> mixing_beta = 0.01 ,<br id="yui_3_16_0_ym19_1_1489326652255_3331"> diagonalization = 'david' ,<br id="yui_3_16_0_ym19_1_1489326652255_3332"> /<br id="yui_3_16_0_ym19_1_1489326652255_3333">ATOMIC_SPECIES<br id="yui_3_16_0_ym19_1_1489326652255_3334"> Zn 65.38000 Zn.pbesol-nc.UPF <br id="yui_3_16_0_ym19_1_1489326652255_3335"> O 15.99990 O.pbesol-nc.UPF <br id="yui_3_16_0_ym19_1_1489326652255_3336">ATOMIC_POSITIONS crystal <br id="yui_3_16_0_ym19_1_1489326652255_3337"> Zn 0.000000000 0.000000000 0.000000000 <br id="yui_3_16_0_ym19_1_1489326652255_3338"> Zn 0.333340000 0.666670000 0.500000000 <br id="yui_3_16_0_ym19_1_1489326652255_3339"> O 0.000000000 0.000000000 0.345000000 <br id="yui_3_16_0_ym19_1_1489326652255_3340"> O 0.666670000 0.333340000 0.845000000 <br id="yui_3_16_0_ym19_1_1489326652255_3341">K_POINTS automatic <br id="yui_3_16_0_ym19_1_1489326652255_3342"> 6 6 4 0 0 0 <br id="yui_3_16_0_ym19_1_1489326652255_3343"></div><div dir="ltr" id="yui_3_16_0_ym19_1_1489326652255_3344"><br></div><div dir="ltr"><br></div><div dir="ltr">dos.in file</div><div dir="ltr"><br></div><div dir="ltr" id="yui_3_16_0_ym19_1_1489326652255_3481"> &DOS<br id="yui_3_16_0_ym19_1_1489326652255_3429"> prefix = 'ZnO' ,<br id="yui_3_16_0_ym19_1_1489326652255_3430"> outdir = '/home/mcv/qe-6.0/ZnO' ,<br id="yui_3_16_0_ym19_1_1489326652255_3431"> fildos = 'ZnO.dos' ,<br id="yui_3_16_0_ym19_1_1489326652255_3432"> ngauss = 0 ,<br id="yui_3_16_0_ym19_1_1489326652255_3433"> degauss = 0.02 ,<br id="yui_3_16_0_ym19_1_1489326652255_3434"> DeltaE = 0.05 ,<br id="yui_3_16_0_ym19_1_1489326652255_3435"> Emin = -55.0 ,<br id="yui_3_16_0_ym19_1_1489326652255_3436"> Emax = 55.0 ,<br id="yui_3_16_0_ym19_1_1489326652255_3437"> /<br id="yui_3_16_0_ym19_1_1489326652255_3438"></div><div dir="ltr"><br></div><div dir="ltr">The error that i am getting is <br></div><div dir="ltr" id="yui_3_16_0_ym19_1_1489326652255_3493"><br></div><div dir="ltr" id="yui_3_16_0_ym19_1_1489326652255_3563">Program DOS v.6.1 (svn rev. 13369) starts on 11Mar2017 at 16:42:29 <br id="yui_3_16_0_ym19_1_1489326652255_3540"><br id="yui_3_16_0_ym19_1_1489326652255_3541"> This program is part of the open-source Quantum ESPRESSO suite<br id="yui_3_16_0_ym19_1_1489326652255_3542"> for quantum simulation of materials; please cite<br id="yui_3_16_0_ym19_1_1489326652255_3543"> "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);<br id="yui_3_16_0_ym19_1_1489326652255_3544"> URL http://www.quantum-espresso.org", <br id="yui_3_16_0_ym19_1_1489326652255_3545"> in publications or presentations arising from this work. More details at<br id="yui_3_16_0_ym19_1_1489326652255_3546"> http://www.quantum-espresso.org/quote<br id="yui_3_16_0_ym19_1_1489326652255_3547"><br id="yui_3_16_0_ym19_1_1489326652255_3548"> Parallel version (MPI), running on 1 processors<br id="yui_3_16_0_ym19_1_1489326652255_3549"><br id="yui_3_16_0_ym19_1_1489326652255_3550"> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br id="yui_3_16_0_ym19_1_1489326652255_3551"> Error in routine pw_readfile (1):<br id="yui_3_16_0_ym19_1_1489326652255_3552"> error opening xml data file<br id="yui_3_16_0_ym19_1_1489326652255_3553"> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br id="yui_3_16_0_ym19_1_1489326652255_3554"><br id="yui_3_16_0_ym19_1_1489326652255_3555"> stopping ...<br id="yui_3_16_0_ym19_1_1489326652255_3556">--------------------------------------------------------------------------<br id="yui_3_16_0_ym19_1_1489326652255_3557">MPI_ABORT was invoked on rank 0 in communicator MPI_COMM_WORLD <br id="yui_3_16_0_ym19_1_1489326652255_3558">with errorcode 1.<br id="yui_3_16_0_ym19_1_1489326652255_3559"><br id="yui_3_16_0_ym19_1_1489326652255_3560">NOTE: invoking MPI_ABORT causes Open MPI to kill all MPI processes.<br id="yui_3_16_0_ym19_1_1489326652255_3561">You may or may not see output from other processes, depending on<br id="yui_3_16_0_ym19_1_1489326652255_3562">exactly when Open MPI kills them.</div><div dir="ltr" id="yui_3_16_0_ym19_1_1489326652255_3735"><br></div><div dir="ltr" id="yui_3_16_0_ym19_1_1489326652255_3747"><br></div><div dir="ltr" id="yui_3_16_0_ym19_1_1489326652255_3748"><br></div><div dir="ltr" id="yui_3_16_0_ym19_1_1489326652255_3749">Please guide me in understanding and solving the problem.</div><div dir="ltr" id="yui_3_16_0_ym19_1_1489326652255_3750"><br></div><div dir="ltr" id="yui_3_16_0_ym19_1_1489326652255_3751">thanking you<br></div></div><div class="signature" id="yui_3_16_0_ym19_1_1489326652255_3216"><div id="yui_3_16_0_ym19_1_1489326652255_3221"><div id="yui_3_16_0_ym19_1_1489326652255_3755"><font id="yui_3_16_0_ym19_1_1489326652255_3220" color="#ff007f" face="comic sans ms"><font color="#c00000">Chaitanya</font> <font id="yui_3_16_0_ym19_1_1489326652255_3219" color="#0000ff">Varma</font> <font color="#7f003f">M</font></font></div><div id="yui_3_16_0_ym19_1_1489326652255_3768"><font id="yui_3_16_0_ym19_1_1489326652255_3220" color="#ff007f" face="comic sans ms"><font id="yui_3_16_0_ym19_1_1489326652255_3785" color="#7f003f">Associate Professor</font></font></div><div id="yui_3_16_0_ym19_1_1489326652255_3777"><font id="yui_3_16_0_ym19_1_1489326652255_3220" color="#ff007f" face="comic sans ms"><font id="yui_3_16_0_ym19_1_1489326652255_3776" color="#7f003f">Department of Physics</font></font></div><div id="yui_3_16_0_ym19_1_1489326652255_3779"><font id="yui_3_16_0_ym19_1_1489326652255_3220" color="#ff007f" face="comic sans ms"><font id="yui_3_16_0_ym19_1_1489326652255_3778" color="#7f003f">Institute of Technology</font></font></div><div id="yui_3_16_0_ym19_1_1489326652255_3780"><font id="yui_3_16_0_ym19_1_1489326652255_3220" color="#ff007f" face="comic sans ms"><font color="#7f003f">GITAM University</font></font></div><div id="yui_3_16_0_ym19_1_1489326652255_3781"><font id="yui_3_16_0_ym19_1_1489326652255_3220" color="#ff007f" face="comic sans ms"><font id="yui_3_16_0_ym19_1_1489326652255_3849" color="#7f003f">Visakhapatnam</font></font></div><div id="yui_3_16_0_ym19_1_1489326652255_3783"><font id="yui_3_16_0_ym19_1_1489326652255_3220" color="#ff007f" face="comic sans ms"><font id="yui_3_16_0_ym19_1_1489326652255_3782" color="#7f003f">Andhra Pradesh</font></font></div><div id="yui_3_16_0_ym19_1_1489326652255_3784"><font id="yui_3_16_0_ym19_1_1489326652255_3220" color="#ff007f" face="comic sans ms"><font color="#7f003f">India<br></font></font></div></div> <div id="yui_3_16_0_ym19_1_1489326652255_3215"><div id="yui_3_16_0_ym19_1_1489326652255_3218"> </div><div id="yui_3_16_0_ym19_1_1489326652255_3217"><br></div><div id="yui_3_16_0_ym19_1_1489326652255_3214"><br></div></div></div></div></body></html>