Friday, November 01 2024 02:02:48
UNRES
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CTEST_FULL_OUTPUT
1l2y_csa_GB000.stat
unit 19 opened
unit 9 opened
print_dist F
iopt 1
NRES=22 IOPT=1 NCUT=2 CUTOFF=-10 9 PDBOUT=100 ECUT=50
is 1
ie 10000000
isampl 1
is 1 ie 10000000
22
21 14 5 8 4 13 7 5 19 16 10 10 20 12 12 10 18 20 20 20
12 21
Call Read_Bridge.
ns= 0
NNT= 1 NCT= 22
MAIN: nnt= 2 nct= 21
Number of cutoffs: 2
Cutoff values:
RCUTOFF( 1)= 10.0** 0
RCUTOFF( 2)= 9.0 0 0
IC: 1 ENERGY: -88.120000000000005
IC: 2 ENERGY: -86.730000000000004
IC: 3 ENERGY: -90.849999999999994
IC: 4 ENERGY: -86.500000000000000
IC: 5 ENERGY: -85.900000000000006
IC: 6 ENERGY: -84.129999999999995
IC: 7 ENERGY: -85.290000000000006
IC: 8 ENERGY: -89.260000000000005
IC: 9 ENERGY: -83.939999999999998
IC: 10 ENERGY: -84.099999999999994
IC: 11 ENERGY: -83.709999999999994
IC: 12 ENERGY: -84.950000000000003
IC: 13 ENERGY: -86.200000000000003
IC: 14 ENERGY: -85.239999999999995
IC: 15 ENERGY: -85.109999999999999
IC: 16 ENERGY: -86.439999999999998
IC: 17 ENERGY: -85.950000000000003
IC: 18 ENERGY: -84.519999999999996
IC: 19 ENERGY: -86.120000000000005
IC: 20 ENERGY: -86.349999999999994
IC: 21 ENERGY: -85.939999999999998
IC: 22 ENERGY: -86.900000000000006
IC: 23 ENERGY: -86.670000000000002
IC: 24 ENERGY: -90.760000000000005
IC: 25 ENERGY: -87.640000000000001
IC: 26 ENERGY: -86.439999999999998
IC: 27 ENERGY: -84.400000000000006
IC: 28 ENERGY: -86.150000000000006
IC: 29 ENERGY: -85.739999999999995
IC: 30 ENERGY: -86.230000000000004
IC: 31 ENERGY: -83.730000000000004
IC: 32 ENERGY: -86.209999999999994
IC: 33 ENERGY: -86.230000000000004
IC: 34 ENERGY: -85.349999999999994
IC: 35 ENERGY: -86.239999999999995
IC: 36 ENERGY: -88.219999999999999
IC: 37 ENERGY: -86.700000000000003
IC: 38 ENERGY: -87.219999999999999
IC: 39 ENERGY: -83.719999999999999
IC: 40 ENERGY: -90.340000000000003
IC: 41 ENERGY: -87.379999999999995
IC: 42 ENERGY: -85.640000000000001
IC: 43 ENERGY: -86.870000000000005
IC: 44 ENERGY: -87.549999999999997
IC: 45 ENERGY: -85.689999999999998
IC: 46 ENERGY: -86.810000000000002
IC: 47 ENERGY: -87.799999999999997
IC: 48 ENERGY: -87.700000000000003
IC: 49 ENERGY: -83.769999999999996
IC: 50 ENERGY: -85.109999999999999
IC: 51 ENERGY: -86.879999999999995
IC: 52 ENERGY: -86.090000000000003
IC: 53 ENERGY: -85.019999999999996
IC: 54 ENERGY: -84.269999999999996
IC: 55 ENERGY: -85.439999999999998
IC: 56 ENERGY: -85.510000000000005
IC: 57 ENERGY: -85.209999999999994
IC: 58 ENERGY: -84.299999999999997
IC: 59 ENERGY: -88.269999999999996
IC: 60 ENERGY: -87.239999999999995
IC: 61 ENERGY: -86.010000000000005
IC: 62 ENERGY: -84.569999999999993
IC: 63 ENERGY: -85.680000000000007
IC: 64 ENERGY: -85.269999999999996
IC: 65 ENERGY: -84.939999999999998
IC: 66 ENERGY: -84.469999999999999
IC: 67 ENERGY: -91.040000000000006
IC: 68 ENERGY: -83.670000000000002
IC: 69 ENERGY: -83.780000000000001
IC: 70 ENERGY: -85.540000000000006
IC: 71 ENERGY: -84.819999999999993
IC: 72 ENERGY: -85.599999999999994
IC: 73 ENERGY: -83.750000000000000
IC: 74 ENERGY: -85.769999999999996
IC: 75 ENERGY: -86.620000000000005
IC: 76 ENERGY: -87.049999999999997
IC: 77 ENERGY: -84.900000000000006
IC: 78 ENERGY: -85.590000000000003
IC: 79 ENERGY: -89.609999999999999
IC: 80 ENERGY: -85.609999999999999
IC: 81 ENERGY: -87.209999999999994
IC: 82 ENERGY: -86.379999999999995
IC: 83 ENERGY: -85.090000000000003
IC: 84 ENERGY: -90.900000000000006
IC: 85 ENERGY: -85.920000000000002
IC: 86 ENERGY: -89.250000000000000
IC: 87 ENERGY: -83.480000000000004
IC: 88 ENERGY: -88.049999999999997
IC: 89 ENERGY: -87.900000000000006
IC: 90 ENERGY: -87.010000000000005
IC: 91 ENERGY: -85.859999999999999
IC: 92 ENERGY: -87.439999999999998
IC: 93 ENERGY: -84.079999999999998
IC: 94 ENERGY: -84.719999999999999
IC: 95 ENERGY: -85.230000000000004
IC: 96 ENERGY: -89.319999999999993
IC: 97 ENERGY: -87.209999999999994
IC: 98 ENERGY: -86.189999999999998
IC: 99 ENERGY: -86.969999999999999
IC: 100 ENERGY: -88.420000000000002
IC: 101 ENERGY: -88.209999999999994
IC: 102 ENERGY: -86.430000000000007
IC: 103 ENERGY: -89.010000000000005
IC: 104 ENERGY: -92.540000000000006
IC: 105 ENERGY: -86.340000000000003
IC: 106 ENERGY: -83.969999999999999
IC: 107 ENERGY: -89.290000000000006
IC: 108 ENERGY: -86.370000000000005
IC: 109 ENERGY: -85.079999999999998
IC: 110 ENERGY: -84.829999999999998
IC: 111 ENERGY: -85.620000000000005
IC: 112 ENERGY: -86.689999999999998
IC: 113 ENERGY: -85.120000000000005
IC: 114 ENERGY: -84.090000000000003
IC: 115 ENERGY: -84.920000000000002
IC: 116 ENERGY: -89.530000000000001
IC: 117 ENERGY: -91.400000000000006
IC: 118 ENERGY: -85.319999999999993
IC: 119 ENERGY: -88.560000000000002
IC: 120 ENERGY: -83.510000000000005
IC: 121 ENERGY: -84.549999999999997
IC: 122 ENERGY: -88.099999999999994
IC: 123 ENERGY: -85.260000000000005
IC: 124 ENERGY: -88.390000000000001
IC: 125 ENERGY: -83.780000000000001
IC: 126 ENERGY: -85.409999999999997
IC: 127 ENERGY: -84.239999999999995
IC: 128 ENERGY: -86.120000000000005
IC: 129 ENERGY: -84.980000000000004
IC: 130 ENERGY: -85.560000000000002
IC: 131 ENERGY: -85.579999999999998
IC: 132 ENERGY: -85.840000000000003
IC: 133 ENERGY: -84.340000000000003
IC: 134 ENERGY: -86.409999999999997
IC: 135 ENERGY: -87.040000000000006
IC: 136 ENERGY: -84.430000000000007
IC: 137 ENERGY: -85.519999999999996
IC: 138 ENERGY: -84.359999999999999
IC: 139 ENERGY: -88.359999999999999
IC: 140 ENERGY: -86.689999999999998
IC: 141 ENERGY: -85.700000000000003
IC: 142 ENERGY: -84.019999999999996
IC: 143 ENERGY: -85.209999999999994
IC: 144 ENERGY: -85.980000000000004
IC: 145 ENERGY: -85.359999999999999
IC: 146 ENERGY: -84.340000000000003
IC: 147 ENERGY: -86.709999999999994
IC: 148 ENERGY: -87.250000000000000
IC: 149 ENERGY: -86.189999999999998
IC: 150 ENERGY: -86.030000000000001
IC: 151 ENERGY: -83.340000000000003
IC: 152 ENERGY: -89.989999999999995
IC: 153 ENERGY: -88.060000000000002
IC: 154 ENERGY: -85.870000000000005
IC: 155 ENERGY: -83.799999999999997
IC: 156 ENERGY: -84.250000000000000
IC: 157 ENERGY: -86.959999999999994
IC: 158 ENERGY: -84.299999999999997
IC: 159 ENERGY: -85.040000000000006
IC: 160 ENERGY: -83.849999999999994
IC: 161 ENERGY: -89.079999999999998
IC: 162 ENERGY: -87.120000000000005
IC: 163 ENERGY: -87.890000000000001
IC: 164 ENERGY: -83.709999999999994
IC: 165 ENERGY: -83.799999999999997
IC: 166 ENERGY: -85.599999999999994
IC: 167 ENERGY: -88.150000000000006
IC: 168 ENERGY: -89.450000000000003
IC: 169 ENERGY: -84.680000000000007
IC: 170 ENERGY: -84.079999999999998
IC: 171 ENERGY: -85.480000000000004
IC: 172 ENERGY: -84.870000000000005
IC: 173 ENERGY: -83.370000000000005
IC: 174 ENERGY: -87.409999999999997
IC: 175 ENERGY: -83.629999999999995
IC: 176 ENERGY: -86.430000000000007
IC: 177 ENERGY: -84.359999999999999
IC: 178 ENERGY: -84.290000000000006
IC: 179 ENERGY: -84.689999999999998
IC: 180 ENERGY: -87.310000000000002
IC: 181 ENERGY: -85.060000000000002
IC: 182 ENERGY: -85.060000000000002
IC: 183 ENERGY: -87.599999999999994
IC: 184 ENERGY: -90.189999999999998
IC: 185 ENERGY: -87.060000000000002
IC: 186 ENERGY: -84.090000000000003
IC: 187 ENERGY: -84.930000000000007
IC: 188 ENERGY: -84.109999999999999
IC: 189 ENERGY: -88.030000000000001
IC: 190 ENERGY: -84.069999999999993
IC: 191 ENERGY: -84.719999999999999
IC: 192 ENERGY: -87.069999999999993
IC: 193 ENERGY: -87.920000000000002
IC: 194 ENERGY: -84.390000000000001
IC: 195 ENERGY: -86.379999999999995
IC: 196 ENERGY: -88.870000000000005
IC: 197 ENERGY: -87.519999999999996
IC: 198 ENERGY: -85.579999999999998
IC: 199 ENERGY: -83.349999999999994
IC: 200 ENERGY: -88.060000000000002
ncon 200
Calculating RMS i= 100
End of distance computation
At line 151 of file /tmp/cdash/devel/source/source/cluster/unres/src/geomout.F (unit = 8, file = '1l2y_csa_GB000_clust.int')
Fortran runtime error: Expected INTEGER for item 3 in formatted transfer, got REAL
(I5,F12.3,I2,8(1X,2I3,$))
^
Error termination. Backtrace:
#0 0x1542e9172d4a
#1 0x1542e9173859
#2 0x1542e917453f
#3 0x1542e93aa051
#4 0x1542e93b6b72
#5 0x1542e93ba555
#6 0x1542e93ba9c3
#7 0x564d074f2afb
#8 0x564d075053e5
#9 0x564d074f7f4a
#10 0x564d074ed3de
#11 0x1542e8e24082
#12 0x564d074ed40d
#13 0xffffffffffffffff
THERE ARE 6 FAMILIES OF CONFORMATIONS
grep: 1l2y_csa*[0-9][0-9][1-9].pdb: No such file or directory
