Error 9 = SIGKILL = some serious error. See the FAQ for "Segmentation fault", it's nmore or less the same
Paolo On Thu, May 28, 2015 at 9:44 AM, [email protected] <[email protected]> wrote: > Dear QE developers, > > I am trying to calculate the IR spectrum of a compound. First, I run > ‘relax’ calculation and got a successful convergence. After that, I started > a phonon calculation. I always got the error (bad termination exit code: > 9). What does this “9” mean? How could I deal with it? > > Thanks a lot in advance! > > > Below are my input files. > > > $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ > > &CONTROL > > title = 'data_7107445-arginine' , > > calculation = 'relax' , > > outdir = '/home/calc/pwscf_calc' , > > wfcdir = '/home/calc/pwscf_calc' , > > pseudo_dir = '/home/calc/espresso-5.1.1/pseudo/' , > > prefix = 'data_7107445-arginine' , > > etot_conv_thr = 5.0d-7 , > > forc_conv_thr = 5.0d-4 , > > / > > &SYSTEM > > ibrav = -12, > > celldm(1) = 18.437112, > > celldm(2) = 1.64229, > > celldm(3) = 0.571978, > > celldm(5) = -0.1391731, > > nat = 52, > > ntyp = 4, > > ecutwfc = 60 , > > ecutrho = 600 , > > / > > &ELECTRONS > > conv_thr = 1.0d-8 , > > mixing_beta = 0.7 , > > diagonalization = 'david' , > > / > > &IONS > > ion_dynamics = 'bfgs' , > > / > > ATOMIC_SPECIES > > H 1.00794 H.pbe-rrkjus.UPF > > C 12.01070 C.pbe-rrkjus.UPF > > N 14.00670 N.pbe-rrkjus.UPF > > O 15.99940 O.pbe-rrkjus.UPF > > ATOMIC_POSITIONS alat > > O 0.006300000 0.868200000 -0.013020000 > > O 0.227050000 0.848140000 0.009000000 > > C 0.113660000 0.830180000 0.075430000 > > N -0.033250000 0.760590000 0.333950000 > > H -0.054180000 0.815120000 0.399610000 > > H -0.037610000 0.717490000 0.457260000 > > H 0.174350000 0.773830000 0.406070000 > > C 0.106340000 0.762260000 0.263410000 > > H 0.213720000 0.684400000 0.060870000 > > H 0.164840000 0.638380000 0.288880000 > > C 0.137820000 0.678170000 0.157380000 > > H -0.057580000 0.626040000 0.098650000 > > H -0.031440000 0.691400000 -0.106990000 > > C 0.009770000 0.646120000 -0.002820000 > > C 0.050230000 0.574960000 -0.158890000 > > H 0.112570000 0.595930000 -0.268380000 > > H 0.097240000 0.531350000 -0.055010000 > > N -0.075080000 0.540090000 -0.301670000 > > H -0.166460000 0.552870000 -0.257220000 > > C -0.064600000 0.493230000 -0.493500000 > > N 0.058320000 0.475550000 -0.553220000 > > H 0.142080000 0.497130000 -0.455420000 > > H 0.065820000 0.440830000 -0.695370000 > > N -0.177240000 0.464120000 -0.625370000 > > H -0.268580000 0.477200000 -0.581240000 > > H -0.169570000 0.429410000 -0.767470000 > > O 0.463600000 -0.043890000 0.555130000 > > O 0.676180000 -0.009900000 0.529510000 > > C 0.549490000 -0.001970000 0.458450000 > > N 0.351640000 0.045210000 0.173950000 > > H 0.337800000 -0.009980000 0.098730000 > > H 0.317190000 0.088270000 0.055990000 > > H 0.551850000 0.048920000 0.119150000 > > C 0.499980000 0.058530000 0.254810000 > > H 0.616920000 0.152610000 0.434850000 > > H 0.513740000 0.185840000 0.206620000 > > C 0.523500000 0.147600000 0.345010000 > > H 0.326790000 0.177670000 0.413310000 > > H 0.412360000 0.124580000 0.626920000 > > C 0.417650000 0.169790000 0.510300000 > > C 0.461390000 0.250030000 0.645100000 > > H 0.550340000 0.241340000 0.747570000 > > H 0.470870000 0.294590000 0.528260000 > > N 0.356090000 0.273940000 0.797270000 > > H 0.266500000 0.245270000 0.778340000 > > C 0.384690000 0.331760000 0.966840000 > > N 0.285130000 0.362190000 1.078710000 > > H 0.189970000 0.342050000 1.036490000 > > H 0.306350000 0.404930000 1.204040000 > > N 0.512780000 0.359050000 1.024210000 > > H 0.586910000 0.336560000 0.941400000 > > H 0.533710000 0.401790000 1.149600000 > > K_POINTS automatic > > 1 1 2 0 0 0 > > > $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ > > normal modes for 7107445-arginine > > &inputph > > recover=.true., > > prefix='data_7107445-arginine', > > epsil=.true., > > fildyn='dmat.arginine', > > tr2_ph=1.0d-14, > > amass(1)=1.00794, > > amass(2)=12.01070, > > amass(3)=14.00670, > > amass(4)=15.99940, > > outdir='/home/calc/pwscf_calc/relax/60-1,1,2' > > / > > 0.0 0.0 0.0 > > > > $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ > > > > ..... > > Atomic displacements: > > There are 156 irreducible representations > > > > Representation 1 1 modes -A To be done > > > > Representation 2 1 modes -A To be done > > > > Representation 3 1 modes -A To be done > > > > Representation 4 1 modes -A To be done > > > > Representation 5 1 modes -A To be done > > > > Representation 6 1 modes -A To be done > > > > Representation 7 1 modes -A To be done > > > > Representation 8 1 modes -A To be done > > > > Representation 9 1 modes -A To be done > > > > Representation 10 1 modes -A To be done > > > > Representation 11 1 modes -A To be done > > > > Representation 12 1 modes -A To be done > > > > Representation 13 1 modes -A To be done > > > > Representation 14 1 modes -A To be done > > > > Representation 15 1 modes -A To be done > > > > Representation 16 1 modes -A To be done > > > > Representation 17 1 modes -A To be done > > > > Representation 18 1 modes -A To be done > > > > Representation 19 1 modes -A To be done > > > > Representation 20 1 modes -A To be done > > > > Representation 21 1 modes -A To be done > > > > Representation 22 1 modes -A To be done > > > > Representation 23 1 modes -A To be done > > > > Representation 24 1 modes -A To be done > > > > Representation 25 1 modes -A To be done > > > > Representation 26 1 modes -A To be done > > > > Representation 27 1 modes -A To be done > > > > Representation 28 1 modes -A To be done > > > > Representation 29 1 modes -A To be done > > > > Representation 30 1 modes -A To be done > > > > Representation 31 1 modes -A To be done > > > > Representation 32 1 modes -A To be done > > > > Representation 33 1 modes -A To be done > > > > Representation 34 1 modes -A To be done > > > > Representation 35 1 modes -A To be done > > > > Representation 36 1 modes -A To be done > > > > Representation 37 1 modes -A To be done > > > > Representation 38 1 modes -A To be done > > > > Representation 39 1 modes -A To be done > > > > Representation 40 1 modes -A To be done > > > > Representation 41 1 modes -A To be done > > > > Representation 42 1 modes -A To be done > > > > Representation 43 1 modes -A To be done > > > > Representation 44 1 modes -A To be done > > > > Representation 45 1 modes -A To be done > > > > Representation 46 1 modes -A To be done > > > > Representation 47 1 modes -A To be done > > > > Representation 48 1 modes -A To be done > > > > Representation 49 1 modes -A To be done > > > > Representation 50 1 modes -A To be done > > > > Representation 51 1 modes -A To be done > > > > Representation 52 1 modes -A To be done > > > > Representation 53 1 modes -A To be done > > > > Representation 54 1 modes -A To be done > > > > Representation 55 1 modes -A To be done > > > > Representation 56 1 modes -A To be done > > > > Representation 57 1 modes -A To be done > > > > Representation 58 1 modes -A To be done > > > > Representation 59 1 modes -A To be done > > > > Representation 60 1 modes -A To be done > > > > Representation 61 1 modes -A To be done > > > > Representation 62 1 modes -A To be done > > > > Representation 63 1 modes -A To be done > > > > Representation 64 1 modes -A To be done > > > > Representation 65 1 modes -A To be done > > > > Representation 66 1 modes -A To be done > > > > Representation 67 1 modes -A To be done > > > > Representation 68 1 modes -A To be done > > > > Representation 69 1 modes -A To be done > > > > Representation 70 1 modes -A To be done > > > > Representation 71 1 modes -A To be done > > > > Representation 72 1 modes -A To be done > > > > Representation 73 1 modes -A To be done > > > > Representation 74 1 modes -A To be done > > > > Representation 75 1 modes -A To be done > > > > Representation 76 1 modes -A To be done > > > > Representation 77 1 modes -A To be done > > > > Representation 78 1 modes -A To be done > > > > Representation 79 1 modes -A To be done > > > > Representation 80 1 modes -A To be done > > > > Representation 81 1 modes -A To be done > > > > Representation 82 1 modes -A To be done > > > > Representation 83 1 modes -A To be done > > > > Representation 84 1 modes -A To be done > > > > Representation 85 1 modes -A To be done > > > > Representation 86 1 modes -A To be done > > > > Representation 87 1 modes -A To be done > > > > Representation 88 1 modes -A To be done > > > > Representation 89 1 modes -A To be done > > > > Representation 90 1 modes -A To be done > > > > Representation 91 1 modes -A To be done > > > > Representation 92 1 modes -A To be done > > > > Representation 93 1 modes -A To be done > > > > Representation 94 1 modes -A To be done > > > > Representation 95 1 modes -A To be done > > > > Representation 96 1 modes -A To be done > > > > Representation 97 1 modes -A To be done > > > > Representation 98 1 modes -A To be done > > > > Representation 99 1 modes -A To be done > > > > Representation 100 1 modes -A To be done > > > > Representation 101 1 modes -A To be done > > > > Representation 102 1 modes -A To be done > > > > Representation 103 1 modes -A To be done > > > > Representation 104 1 modes -A To be done > > > > Representation 105 1 modes -A To be done > > > > Representation 106 1 modes -A To be done > > > > Representation 107 1 modes -A To be done > > > > Representation 108 1 modes -A To be done > > > > Representation 109 1 modes -A To be done > > > > Representation 110 1 modes -A To be done > > > > Representation 111 1 modes -A To be done > > > > Representation 112 1 modes -A To be done > > > > Representation 113 1 modes -A To be done > > > > Representation 114 1 modes -A To be done > > > > Representation 115 1 modes -A To be done > > > > Representation 116 1 modes -A To be done > > > > Representation 117 1 modes -A To be done > > > > Representation 118 1 modes -A To be done > > > > Representation 119 1 modes -A To be done > > > > Representation 120 1 modes -A To be done > > > > Representation 121 1 modes -A To be done > > > > Representation 122 1 modes -A To be done > > > > Representation 123 1 modes -A To be done > > > > Representation 124 1 modes -A To be done > > > > Representation 125 1 modes -A To be done > > > > Representation 126 1 modes -A To be done > > > > Representation 127 1 modes -A To be done > > > > Representation 128 1 modes -A To be done > > > > Representation 129 1 modes -A To be done > > > > Representation 130 1 modes -A To be done > > > > Representation 131 1 modes -A To be done > > > > Representation 132 1 modes -A To be done > > > > Representation 133 1 modes -A To be done > > > > Representation 134 1 modes -A To be done > > > > Representation 135 1 modes -A To be done > > > > Representation 136 1 modes -A To be done > > > > Representation 137 1 modes -A To be done > > > > Representation 138 1 modes -A To be done > > > > Representation 139 1 modes -A To be done > > > > Representation 140 1 modes -A To be done > > > > Representation 141 1 modes -A To be done > > > > Representation 142 1 modes -A To be done > > > > Representation 143 1 modes -A To be done > > > > Representation 144 1 modes -A To be done > > > > Representation 145 1 modes -A To be done > > > > Representation 146 1 modes -A To be done > > > > Representation 147 1 modes -A To be done > > > > Representation 148 1 modes -A To be done > > > > Representation 149 1 modes -A To be done > > > > Representation 150 1 modes -A To be done > > > > Representation 151 1 modes -A To be done > > > > Representation 152 1 modes -A To be done > > > > Representation 153 1 modes -A To be done > > > > Representation 154 1 modes -A To be done > > > > Representation 155 1 modes -A To be done > > > > Representation 156 1 modes -A To be done > > > > > > > > > =================================================================================== > > = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES > > = EXIT CODE: 9 > > = CLEANING UP REMAINING PROCESSES > > = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES > > > =================================================================================== > > YOUR APPLICATION TERMINATED WITH THE EXIT STRING: Killed (signal 9) > > This typically refers to a problem with your application. > > Please see the FAQ page for debugging suggestions > > > ------------------------------ > Dr. Yin Li > Department of Biophysics,Medical School, University of Pecs, > No.12 Szigeti Street, Pecs, H-7624, HUNGARY > Phone: +36-72-535271/36271 > > _______________________________________________ > Pw_forum mailing list > [email protected] > http://pwscf.org/mailman/listinfo/pw_forum >
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