*** nompcdar12 ***
Output from eigenvector calculation:
STDOUT:
CUTOFF set to default value (CUTOFF=8)
Build Tirion matrix:
Pdbmat> Computes the Hessian matrix, using an Elastic Network Model.
Pdbmat> Version 3.50, Fevrier 2004.
Pdbmat> Options to be read in pdbmat.dat file.
Pdbmat> Coordinate filename = 2607020522211887883.atom
Pdbmat> Distance cutoff = 8.00
Force constant = 10.00
Origin of mass values = CONS
Pdbmat> Levelshift = 1.0E-09
PRINTing level = 2
Pdbmat> Coordinate file 2607020522211887883.atom to be opened.
Openam> File opened: 2607020522211887883.atom
Pdbmat> Coordinate file in PDB format.
Rdatompdb> Reading pdb file.
Rdatompdb> End of file reached.
Rdatompdb> Number of I/O errors: 0
Rdatompdb> Number of residues found = 5308
First residue number = 1
Last residue number = 1327
Number of atoms found = 40840
Mean number per residue = 7.7
Pdbmat> Coordinate statistics:
= 242.320703 +/- 29.633453 From: 166.439000 To: 323.318000
= 243.037248 +/- 29.789911 From: 160.172000 To: 325.203000
= 279.313377 +/- 49.297280 From: 154.812000 To: 382.338000
Pdbmat> Masses are all set to one.
Openam> File opened: pdbmat.xyzm
Pdbmat> Coordinates and masses considered are saved.
Openam> File opened: pdbmat.sdijb
Pdbmat> Matrix statistics:
Pdbmat> The matrix is 1.3808 % Filled.
Pdbmat> 14680576 non-zero elements.
Pdbmat> 1604229 atom-atom interactions.
Pdbmat> Number per atom= 78.56 +/- 24.78
Maximum number = 132
Minimum number = 8
Pdbmat> Matrix trace = 3.208458E+07
Pdbmat> Larger element = 520.047
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
Diagonalize Tirion matrix using diagrtb
Diagrtb> Diagonalizes a matrix, using the RTB/BNM approximation.
Diagrtb> Version 2.52, November 2004.
Diagrtb> Options to be read in diagrtb.dat file.
Diagrtb> Options taken into account:
MATRix filename = pdbmat.sdijb
COORdinates filename = 2607020522211887883.atom
Eigenvector OUTPut file = matrix.eigenrtb
Nb of VECTors required = 106
EigeNVALues chosen = LOWE
Type of SUBStructuring = NONE
Nb of residues per BLOck = 16
Origin of MASS values = CONS
MATRix FORMat = BINA
Temporary files cleaning = ALL
Output PRINting level = 2
Diagrtb> Memory allocation for Blocpdb.
Blocpdb> Entering in.
Openam> file on opening on unit 10:
diagrtb_work.xyzm
Blocpdb> Coordinate file 2607020522211887883.atom to be opened.
Openam> file on opening on unit 11:
2607020522211887883.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 40840 atoms picked in pdb file.
Blocpdb> All masses set to unity.
Blocpdb> Coordinate file is rewritten.
Blocpdb> Substructuring:
Blocpdb> 16 residue(s) per block.
Blocpdb> 5308 residues.
Blocpdb> 102 atoms in block 1
Block first atom: 1
Blocpdb> 111 atoms in block 2
Block first atom: 103
Blocpdb> 113 atoms in block 3
Block first atom: 214
Blocpdb> 124 atoms in block 4
Block first atom: 327
Blocpdb> 107 atoms in block 5
Block first atom: 451
Blocpdb> 126 atoms in block 6
Block first atom: 558
Blocpdb> 126 atoms in block 7
Block first atom: 684
Blocpdb> 118 atoms in block 8
Block first atom: 810
Blocpdb> 118 atoms in block 9
Block first atom: 928
Blocpdb> 131 atoms in block 10
Block first atom: 1046
Blocpdb> 115 atoms in block 11
Block first atom: 1177
Blocpdb> 134 atoms in block 12
Block first atom: 1292
Blocpdb> 123 atoms in block 13
Block first atom: 1426
Blocpdb> 125 atoms in block 14
Block first atom: 1549
Blocpdb> 120 atoms in block 15
Block first atom: 1674
Blocpdb> 126 atoms in block 16
Block first atom: 1794
Blocpdb> 124 atoms in block 17
Block first atom: 1920
Blocpdb> 124 atoms in block 18
Block first atom: 2044
Blocpdb> 125 atoms in block 19
Block first atom: 2168
Blocpdb> 124 atoms in block 20
Block first atom: 2293
Blocpdb> 119 atoms in block 21
Block first atom: 2417
Blocpdb> 129 atoms in block 22
Block first atom: 2536
Blocpdb> 119 atoms in block 23
Block first atom: 2665
Blocpdb> 117 atoms in block 24
Block first atom: 2784
Blocpdb> 125 atoms in block 25
Block first atom: 2901
Blocpdb> 127 atoms in block 26
Block first atom: 3026
Blocpdb> 110 atoms in block 27
Block first atom: 3153
Blocpdb> 124 atoms in block 28
Block first atom: 3263
Blocpdb> 121 atoms in block 29
Block first atom: 3387
Blocpdb> 109 atoms in block 30
Block first atom: 3508
Blocpdb> 112 atoms in block 31
Block first atom: 3617
Blocpdb> 115 atoms in block 32
Block first atom: 3729
Blocpdb> 122 atoms in block 33
Block first atom: 3844
Blocpdb> 127 atoms in block 34
Block first atom: 3966
Blocpdb> 110 atoms in block 35
Block first atom: 4093
Blocpdb> 117 atoms in block 36
Block first atom: 4203
Blocpdb> 119 atoms in block 37
Block first atom: 4320
Blocpdb> 113 atoms in block 38
Block first atom: 4439
Blocpdb> 114 atoms in block 39
Block first atom: 4552
Blocpdb> 127 atoms in block 40
Block first atom: 4666
Blocpdb> 120 atoms in block 41
Block first atom: 4793
Blocpdb> 114 atoms in block 42
Block first atom: 4913
Blocpdb> 121 atoms in block 43
Block first atom: 5027
Blocpdb> 118 atoms in block 44
Block first atom: 5148
Blocpdb> 116 atoms in block 45
Block first atom: 5266
Blocpdb> 139 atoms in block 46
Block first atom: 5382
Blocpdb> 137 atoms in block 47
Block first atom: 5521
Blocpdb> 123 atoms in block 48
Block first atom: 5658
Blocpdb> 122 atoms in block 49
Block first atom: 5781
Blocpdb> 118 atoms in block 50
Block first atom: 5903
Blocpdb> 101 atoms in block 51
Block first atom: 6021
Blocpdb> 132 atoms in block 52
Block first atom: 6122
Blocpdb> 129 atoms in block 53
Block first atom: 6254
Blocpdb> 145 atoms in block 54
Block first atom: 6383
Blocpdb> 128 atoms in block 55
Block first atom: 6528
Blocpdb> 129 atoms in block 56
Block first atom: 6656
Blocpdb> 139 atoms in block 57
Block first atom: 6785
Blocpdb> 122 atoms in block 58
Block first atom: 6924
Blocpdb> 136 atoms in block 59
Block first atom: 7046
Blocpdb> 119 atoms in block 60
Block first atom: 7182
Blocpdb> 108 atoms in block 61
Block first atom: 7301
Blocpdb> 137 atoms in block 62
Block first atom: 7409
Blocpdb> 126 atoms in block 63
Block first atom: 7546
Blocpdb> 140 atoms in block 64
Block first atom: 7672
Blocpdb> 122 atoms in block 65
Block first atom: 7812
Blocpdb> 124 atoms in block 66
Block first atom: 7934
Blocpdb> 133 atoms in block 67
Block first atom: 8058
Blocpdb> 140 atoms in block 68
Block first atom: 8191
Blocpdb> 130 atoms in block 69
Block first atom: 8331
Blocpdb> 123 atoms in block 70
Block first atom: 8461
Blocpdb> 148 atoms in block 71
Block first atom: 8584
Blocpdb> 119 atoms in block 72
Block first atom: 8732
Blocpdb> 138 atoms in block 73
Block first atom: 8851
Blocpdb> 128 atoms in block 74
Block first atom: 8989
Blocpdb> 136 atoms in block 75
Block first atom: 9117
Blocpdb> 133 atoms in block 76
Block first atom: 9253
Blocpdb> 116 atoms in block 77
Block first atom: 9386
Blocpdb> 129 atoms in block 78
Block first atom: 9502
Blocpdb> 115 atoms in block 79
Block first atom: 9631
Blocpdb> 138 atoms in block 80
Block first atom: 9746
Blocpdb> 108 atoms in block 81
Block first atom: 9884
Blocpdb> 107 atoms in block 82
Block first atom: 9992
Blocpdb> 112 atoms in block 83
Block first atom: 10099
Blocpdb> 102 atoms in block 84
Block first atom: 10211
Blocpdb> 111 atoms in block 85
Block first atom: 10313
Blocpdb> 113 atoms in block 86
Block first atom: 10424
Blocpdb> 124 atoms in block 87
Block first atom: 10537
Blocpdb> 107 atoms in block 88
Block first atom: 10661
Blocpdb> 126 atoms in block 89
Block first atom: 10768
Blocpdb> 126 atoms in block 90
Block first atom: 10894
Blocpdb> 118 atoms in block 91
Block first atom: 11020
Blocpdb> 118 atoms in block 92
Block first atom: 11138
Blocpdb> 131 atoms in block 93
Block first atom: 11256
Blocpdb> 115 atoms in block 94
Block first atom: 11387
Blocpdb> 134 atoms in block 95
Block first atom: 11502
Blocpdb> 123 atoms in block 96
Block first atom: 11636
Blocpdb> 125 atoms in block 97
Block first atom: 11759
Blocpdb> 120 atoms in block 98
Block first atom: 11884
Blocpdb> 126 atoms in block 99
Block first atom: 12004
Blocpdb> 124 atoms in block 100
Block first atom: 12130
Blocpdb> 124 atoms in block 101
Block first atom: 12254
Blocpdb> 125 atoms in block 102
Block first atom: 12378
Blocpdb> 124 atoms in block 103
Block first atom: 12503
Blocpdb> 119 atoms in block 104
Block first atom: 12627
Blocpdb> 129 atoms in block 105
Block first atom: 12746
Blocpdb> 119 atoms in block 106
Block first atom: 12875
Blocpdb> 117 atoms in block 107
Block first atom: 12994
Blocpdb> 125 atoms in block 108
Block first atom: 13111
Blocpdb> 127 atoms in block 109
Block first atom: 13236
Blocpdb> 110 atoms in block 110
Block first atom: 13363
Blocpdb> 124 atoms in block 111
Block first atom: 13473
Blocpdb> 121 atoms in block 112
Block first atom: 13597
Blocpdb> 109 atoms in block 113
Block first atom: 13718
Blocpdb> 112 atoms in block 114
Block first atom: 13827
Blocpdb> 115 atoms in block 115
Block first atom: 13939
Blocpdb> 122 atoms in block 116
Block first atom: 14054
Blocpdb> 127 atoms in block 117
Block first atom: 14176
Blocpdb> 110 atoms in block 118
Block first atom: 14303
Blocpdb> 117 atoms in block 119
Block first atom: 14413
Blocpdb> 119 atoms in block 120
Block first atom: 14530
Blocpdb> 113 atoms in block 121
Block first atom: 14649
Blocpdb> 114 atoms in block 122
Block first atom: 14762
Blocpdb> 127 atoms in block 123
Block first atom: 14876
Blocpdb> 120 atoms in block 124
Block first atom: 15003
Blocpdb> 114 atoms in block 125
Block first atom: 15123
Blocpdb> 121 atoms in block 126
Block first atom: 15237
Blocpdb> 118 atoms in block 127
Block first atom: 15358
Blocpdb> 116 atoms in block 128
Block first atom: 15476
Blocpdb> 139 atoms in block 129
Block first atom: 15592
Blocpdb> 137 atoms in block 130
Block first atom: 15731
Blocpdb> 123 atoms in block 131
Block first atom: 15868
Blocpdb> 122 atoms in block 132
Block first atom: 15991
Blocpdb> 118 atoms in block 133
Block first atom: 16113
Blocpdb> 101 atoms in block 134
Block first atom: 16231
Blocpdb> 132 atoms in block 135
Block first atom: 16332
Blocpdb> 129 atoms in block 136
Block first atom: 16464
Blocpdb> 145 atoms in block 137
Block first atom: 16593
Blocpdb> 128 atoms in block 138
Block first atom: 16738
Blocpdb> 129 atoms in block 139
Block first atom: 16866
Blocpdb> 139 atoms in block 140
Block first atom: 16995
Blocpdb> 122 atoms in block 141
Block first atom: 17134
Blocpdb> 136 atoms in block 142
Block first atom: 17256
Blocpdb> 119 atoms in block 143
Block first atom: 17392
Blocpdb> 108 atoms in block 144
Block first atom: 17511
Blocpdb> 137 atoms in block 145
Block first atom: 17619
Blocpdb> 126 atoms in block 146
Block first atom: 17756
Blocpdb> 140 atoms in block 147
Block first atom: 17882
Blocpdb> 122 atoms in block 148
Block first atom: 18022
Blocpdb> 124 atoms in block 149
Block first atom: 18144
Blocpdb> 133 atoms in block 150
Block first atom: 18268
Blocpdb> 140 atoms in block 151
Block first atom: 18401
Blocpdb> 130 atoms in block 152
Block first atom: 18541
Blocpdb> 123 atoms in block 153
Block first atom: 18671
Blocpdb> 148 atoms in block 154
Block first atom: 18794
Blocpdb> 119 atoms in block 155
Block first atom: 18942
Blocpdb> 138 atoms in block 156
Block first atom: 19061
Blocpdb> 128 atoms in block 157
Block first atom: 19199
Blocpdb> 136 atoms in block 158
Block first atom: 19327
Blocpdb> 133 atoms in block 159
Block first atom: 19463
Blocpdb> 116 atoms in block 160
Block first atom: 19596
Blocpdb> 129 atoms in block 161
Block first atom: 19712
Blocpdb> 115 atoms in block 162
Block first atom: 19841
Blocpdb> 138 atoms in block 163
Block first atom: 19956
Blocpdb> 108 atoms in block 164
Block first atom: 20094
Blocpdb> 107 atoms in block 165
Block first atom: 20202
Blocpdb> 112 atoms in block 166
Block first atom: 20309
Blocpdb> 102 atoms in block 167
Block first atom: 20421
Blocpdb> 111 atoms in block 168
Block first atom: 20523
Blocpdb> 113 atoms in block 169
Block first atom: 20634
Blocpdb> 124 atoms in block 170
Block first atom: 20747
Blocpdb> 107 atoms in block 171
Block first atom: 20871
Blocpdb> 126 atoms in block 172
Block first atom: 20978
Blocpdb> 126 atoms in block 173
Block first atom: 21104
Blocpdb> 118 atoms in block 174
Block first atom: 21230
Blocpdb> 118 atoms in block 175
Block first atom: 21348
Blocpdb> 131 atoms in block 176
Block first atom: 21466
Blocpdb> 115 atoms in block 177
Block first atom: 21597
Blocpdb> 134 atoms in block 178
Block first atom: 21712
Blocpdb> 123 atoms in block 179
Block first atom: 21846
Blocpdb> 125 atoms in block 180
Block first atom: 21969
Blocpdb> 120 atoms in block 181
Block first atom: 22094
Blocpdb> 126 atoms in block 182
Block first atom: 22214
Blocpdb> 124 atoms in block 183
Block first atom: 22340
Blocpdb> 124 atoms in block 184
Block first atom: 22464
Blocpdb> 125 atoms in block 185
Block first atom: 22588
Blocpdb> 124 atoms in block 186
Block first atom: 22713
Blocpdb> 119 atoms in block 187
Block first atom: 22837
Blocpdb> 129 atoms in block 188
Block first atom: 22956
Blocpdb> 119 atoms in block 189
Block first atom: 23085
Blocpdb> 117 atoms in block 190
Block first atom: 23204
Blocpdb> 125 atoms in block 191
Block first atom: 23321
Blocpdb> 127 atoms in block 192
Block first atom: 23446
Blocpdb> 110 atoms in block 193
Block first atom: 23573
Blocpdb> 124 atoms in block 194
Block first atom: 23683
Blocpdb> 121 atoms in block 195
Block first atom: 23807
Blocpdb> 109 atoms in block 196
Block first atom: 23928
Blocpdb> 112 atoms in block 197
Block first atom: 24037
Blocpdb> 115 atoms in block 198
Block first atom: 24149
Blocpdb> 122 atoms in block 199
Block first atom: 24264
Blocpdb> 127 atoms in block 200
Block first atom: 24386
Blocpdb> 110 atoms in block 201
Block first atom: 24513
Blocpdb> 117 atoms in block 202
Block first atom: 24623
Blocpdb> 119 atoms in block 203
Block first atom: 24740
Blocpdb> 113 atoms in block 204
Block first atom: 24859
Blocpdb> 114 atoms in block 205
Block first atom: 24972
Blocpdb> 127 atoms in block 206
Block first atom: 25086
Blocpdb> 120 atoms in block 207
Block first atom: 25213
Blocpdb> 114 atoms in block 208
Block first atom: 25333
Blocpdb> 121 atoms in block 209
Block first atom: 25447
Blocpdb> 118 atoms in block 210
Block first atom: 25568
Blocpdb> 116 atoms in block 211
Block first atom: 25686
Blocpdb> 139 atoms in block 212
Block first atom: 25802
Blocpdb> 137 atoms in block 213
Block first atom: 25941
Blocpdb> 123 atoms in block 214
Block first atom: 26078
Blocpdb> 122 atoms in block 215
Block first atom: 26201
Blocpdb> 118 atoms in block 216
Block first atom: 26323
Blocpdb> 101 atoms in block 217
Block first atom: 26441
Blocpdb> 132 atoms in block 218
Block first atom: 26542
Blocpdb> 129 atoms in block 219
Block first atom: 26674
Blocpdb> 145 atoms in block 220
Block first atom: 26803
Blocpdb> 128 atoms in block 221
Block first atom: 26948
Blocpdb> 129 atoms in block 222
Block first atom: 27076
Blocpdb> 139 atoms in block 223
Block first atom: 27205
Blocpdb> 122 atoms in block 224
Block first atom: 27344
Blocpdb> 136 atoms in block 225
Block first atom: 27466
Blocpdb> 119 atoms in block 226
Block first atom: 27602
Blocpdb> 108 atoms in block 227
Block first atom: 27721
Blocpdb> 137 atoms in block 228
Block first atom: 27829
Blocpdb> 126 atoms in block 229
Block first atom: 27966
Blocpdb> 140 atoms in block 230
Block first atom: 28092
Blocpdb> 122 atoms in block 231
Block first atom: 28232
Blocpdb> 124 atoms in block 232
Block first atom: 28354
Blocpdb> 133 atoms in block 233
Block first atom: 28478
Blocpdb> 140 atoms in block 234
Block first atom: 28611
Blocpdb> 130 atoms in block 235
Block first atom: 28751
Blocpdb> 123 atoms in block 236
Block first atom: 28881
Blocpdb> 148 atoms in block 237
Block first atom: 29004
Blocpdb> 119 atoms in block 238
Block first atom: 29152
Blocpdb> 138 atoms in block 239
Block first atom: 29271
Blocpdb> 128 atoms in block 240
Block first atom: 29409
Blocpdb> 136 atoms in block 241
Block first atom: 29537
Blocpdb> 133 atoms in block 242
Block first atom: 29673
Blocpdb> 116 atoms in block 243
Block first atom: 29806
Blocpdb> 129 atoms in block 244
Block first atom: 29922
Blocpdb> 115 atoms in block 245
Block first atom: 30051
Blocpdb> 138 atoms in block 246
Block first atom: 30166
Blocpdb> 108 atoms in block 247
Block first atom: 30304
Blocpdb> 107 atoms in block 248
Block first atom: 30412
Blocpdb> 112 atoms in block 249
Block first atom: 30519
Blocpdb> 102 atoms in block 250
Block first atom: 30631
Blocpdb> 111 atoms in block 251
Block first atom: 30733
Blocpdb> 113 atoms in block 252
Block first atom: 30844
Blocpdb> 124 atoms in block 253
Block first atom: 30957
Blocpdb> 107 atoms in block 254
Block first atom: 31081
Blocpdb> 126 atoms in block 255
Block first atom: 31188
Blocpdb> 126 atoms in block 256
Block first atom: 31314
Blocpdb> 118 atoms in block 257
Block first atom: 31440
Blocpdb> 118 atoms in block 258
Block first atom: 31558
Blocpdb> 131 atoms in block 259
Block first atom: 31676
Blocpdb> 115 atoms in block 260
Block first atom: 31807
Blocpdb> 134 atoms in block 261
Block first atom: 31922
Blocpdb> 123 atoms in block 262
Block first atom: 32056
Blocpdb> 125 atoms in block 263
Block first atom: 32179
Blocpdb> 120 atoms in block 264
Block first atom: 32304
Blocpdb> 126 atoms in block 265
Block first atom: 32424
Blocpdb> 124 atoms in block 266
Block first atom: 32550
Blocpdb> 124 atoms in block 267
Block first atom: 32674
Blocpdb> 125 atoms in block 268
Block first atom: 32798
Blocpdb> 124 atoms in block 269
Block first atom: 32923
Blocpdb> 119 atoms in block 270
Block first atom: 33047
Blocpdb> 129 atoms in block 271
Block first atom: 33166
Blocpdb> 119 atoms in block 272
Block first atom: 33295
Blocpdb> 117 atoms in block 273
Block first atom: 33414
Blocpdb> 125 atoms in block 274
Block first atom: 33531
Blocpdb> 127 atoms in block 275
Block first atom: 33656
Blocpdb> 110 atoms in block 276
Block first atom: 33783
Blocpdb> 124 atoms in block 277
Block first atom: 33893
Blocpdb> 121 atoms in block 278
Block first atom: 34017
Blocpdb> 109 atoms in block 279
Block first atom: 34138
Blocpdb> 112 atoms in block 280
Block first atom: 34247
Blocpdb> 115 atoms in block 281
Block first atom: 34359
Blocpdb> 122 atoms in block 282
Block first atom: 34474
Blocpdb> 127 atoms in block 283
Block first atom: 34596
Blocpdb> 110 atoms in block 284
Block first atom: 34723
Blocpdb> 117 atoms in block 285
Block first atom: 34833
Blocpdb> 119 atoms in block 286
Block first atom: 34950
Blocpdb> 113 atoms in block 287
Block first atom: 35069
Blocpdb> 114 atoms in block 288
Block first atom: 35182
Blocpdb> 127 atoms in block 289
Block first atom: 35296
Blocpdb> 120 atoms in block 290
Block first atom: 35423
Blocpdb> 114 atoms in block 291
Block first atom: 35543
Blocpdb> 121 atoms in block 292
Block first atom: 35657
Blocpdb> 118 atoms in block 293
Block first atom: 35778
Blocpdb> 116 atoms in block 294
Block first atom: 35896
Blocpdb> 139 atoms in block 295
Block first atom: 36012
Blocpdb> 137 atoms in block 296
Block first atom: 36151
Blocpdb> 123 atoms in block 297
Block first atom: 36288
Blocpdb> 122 atoms in block 298
Block first atom: 36411
Blocpdb> 118 atoms in block 299
Block first atom: 36533
Blocpdb> 101 atoms in block 300
Block first atom: 36651
Blocpdb> 132 atoms in block 301
Block first atom: 36752
Blocpdb> 129 atoms in block 302
Block first atom: 36884
Blocpdb> 145 atoms in block 303
Block first atom: 37013
Blocpdb> 128 atoms in block 304
Block first atom: 37158
Blocpdb> 129 atoms in block 305
Block first atom: 37286
Blocpdb> 139 atoms in block 306
Block first atom: 37415
Blocpdb> 122 atoms in block 307
Block first atom: 37554
Blocpdb> 136 atoms in block 308
Block first atom: 37676
Blocpdb> 119 atoms in block 309
Block first atom: 37812
Blocpdb> 108 atoms in block 310
Block first atom: 37931
Blocpdb> 137 atoms in block 311
Block first atom: 38039
Blocpdb> 126 atoms in block 312
Block first atom: 38176
Blocpdb> 140 atoms in block 313
Block first atom: 38302
Blocpdb> 122 atoms in block 314
Block first atom: 38442
Blocpdb> 124 atoms in block 315
Block first atom: 38564
Blocpdb> 133 atoms in block 316
Block first atom: 38688
Blocpdb> 140 atoms in block 317
Block first atom: 38821
Blocpdb> 130 atoms in block 318
Block first atom: 38961
Blocpdb> 123 atoms in block 319
Block first atom: 39091
Blocpdb> 148 atoms in block 320
Block first atom: 39214
Blocpdb> 119 atoms in block 321
Block first atom: 39362
Blocpdb> 138 atoms in block 322
Block first atom: 39481
Blocpdb> 128 atoms in block 323
Block first atom: 39619
Blocpdb> 136 atoms in block 324
Block first atom: 39747
Blocpdb> 133 atoms in block 325
Block first atom: 39883
Blocpdb> 116 atoms in block 326
Block first atom: 40016
Blocpdb> 129 atoms in block 327
Block first atom: 40132
Blocpdb> 115 atoms in block 328
Block first atom: 40261
Blocpdb> 138 atoms in block 329
Block first atom: 40376
Blocpdb> 108 atoms in block 330
Block first atom: 40514
Blocpdb> 107 atoms in block 331
Block first atom: 40622
Blocpdb> 112 atoms in block 332
Block first atom: 40728
Blocpdb> 332 blocks.
Blocpdb> At most, 148 atoms in each of them.
Blocpdb> At least, 101 atoms in each of them.
Blocpdb> Normal end of Blocpdb.
Diagrtb> Memory allocation for Prepmat.
Diagrtb> Memory allocation for RTB.
Diagrtb> Memory allocation for Diagstd.
Diagrtb> Memory allocation for RTB_to_modes.
%Diagrtb-Er> IRWKMX up to: 54596017 Maximum allowed is LRWORK= 32000000
%Diagrtb-Er> Not enough memory allowed for working arrays. Sorry.
Lower the number of blocks, the sizes of the largest ones...
Or recompile DIAGRTB with larger WORKing arrays.
STDERR:
STOP *Working arrays allocation error*
real 0m0.246s
user 0m0.227s
sys 0m0.019s
If you find results from this site helpful for your research, please cite one of our papers:
elNémo
is maintained by Yves-Henri Sanejouand.
It was developed
by Karsten Suhre.
Between 2003 and 2014, it was hosted by IGS (Marseille).
Between 2015 and 2025, it was hosted by US2B (Nantes).
Last modification: april 24th, 2026.
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