*** 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 = 2607020526481888834.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 2607020526481888834.atom to be opened.
Openam> File opened: 2607020526481888834.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 = 2607020526481888834.atom
Eigenvector OUTPut file = matrix.eigenrtb
Nb of VECTors required = 106
EigeNVALues chosen = LOWE
Type of SUBStructuring = NONE
Nb of residues per BLOck = 15
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 2607020526481888834.atom to be opened.
Openam> file on opening on unit 11:
2607020526481888834.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> 15 residue(s) per block.
Blocpdb> 5308 residues.
Blocpdb> 95 atoms in block 1
Block first atom: 1
Blocpdb> 107 atoms in block 2
Block first atom: 96
Blocpdb> 103 atoms in block 3
Block first atom: 203
Blocpdb> 110 atoms in block 4
Block first atom: 306
Blocpdb> 103 atoms in block 5
Block first atom: 416
Blocpdb> 111 atoms in block 6
Block first atom: 519
Blocpdb> 132 atoms in block 7
Block first atom: 630
Blocpdb> 102 atoms in block 8
Block first atom: 762
Blocpdb> 116 atoms in block 9
Block first atom: 864
Blocpdb> 118 atoms in block 10
Block first atom: 980
Blocpdb> 119 atoms in block 11
Block first atom: 1098
Blocpdb> 112 atoms in block 12
Block first atom: 1217
Blocpdb> 120 atoms in block 13
Block first atom: 1329
Blocpdb> 115 atoms in block 14
Block first atom: 1449
Blocpdb> 117 atoms in block 15
Block first atom: 1564
Blocpdb> 113 atoms in block 16
Block first atom: 1681
Blocpdb> 112 atoms in block 17
Block first atom: 1794
Blocpdb> 123 atoms in block 18
Block first atom: 1906
Blocpdb> 119 atoms in block 19
Block first atom: 2029
Blocpdb> 114 atoms in block 20
Block first atom: 2148
Blocpdb> 116 atoms in block 21
Block first atom: 2262
Blocpdb> 110 atoms in block 22
Block first atom: 2378
Blocpdb> 126 atoms in block 23
Block first atom: 2488
Blocpdb> 120 atoms in block 24
Block first atom: 2614
Blocpdb> 105 atoms in block 25
Block first atom: 2734
Blocpdb> 108 atoms in block 26
Block first atom: 2839
Blocpdb> 115 atoms in block 27
Block first atom: 2947
Blocpdb> 118 atoms in block 28
Block first atom: 3062
Blocpdb> 100 atoms in block 29
Block first atom: 3180
Blocpdb> 122 atoms in block 30
Block first atom: 3280
Blocpdb> 111 atoms in block 31
Block first atom: 3402
Blocpdb> 104 atoms in block 32
Block first atom: 3513
Blocpdb> 102 atoms in block 33
Block first atom: 3617
Blocpdb> 110 atoms in block 34
Block first atom: 3719
Blocpdb> 115 atoms in block 35
Block first atom: 3829
Blocpdb> 113 atoms in block 36
Block first atom: 3944
Blocpdb> 113 atoms in block 37
Block first atom: 4057
Blocpdb> 102 atoms in block 38
Block first atom: 4170
Blocpdb> 111 atoms in block 39
Block first atom: 4272
Blocpdb> 106 atoms in block 40
Block first atom: 4383
Blocpdb> 115 atoms in block 41
Block first atom: 4489
Blocpdb> 107 atoms in block 42
Block first atom: 4604
Blocpdb> 119 atoms in block 43
Block first atom: 4711
Blocpdb> 111 atoms in block 44
Block first atom: 4830
Blocpdb> 114 atoms in block 45
Block first atom: 4941
Blocpdb> 110 atoms in block 46
Block first atom: 5055
Blocpdb> 105 atoms in block 47
Block first atom: 5165
Blocpdb> 112 atoms in block 48
Block first atom: 5270
Blocpdb> 130 atoms in block 49
Block first atom: 5382
Blocpdb> 128 atoms in block 50
Block first atom: 5512
Blocpdb> 119 atoms in block 51
Block first atom: 5640
Blocpdb> 113 atoms in block 52
Block first atom: 5759
Blocpdb> 111 atoms in block 53
Block first atom: 5872
Blocpdb> 106 atoms in block 54
Block first atom: 5983
Blocpdb> 107 atoms in block 55
Block first atom: 6089
Blocpdb> 127 atoms in block 56
Block first atom: 6196
Blocpdb> 131 atoms in block 57
Block first atom: 6323
Blocpdb> 123 atoms in block 58
Block first atom: 6454
Blocpdb> 120 atoms in block 59
Block first atom: 6577
Blocpdb> 124 atoms in block 60
Block first atom: 6697
Blocpdb> 125 atoms in block 61
Block first atom: 6821
Blocpdb> 115 atoms in block 62
Block first atom: 6946
Blocpdb> 129 atoms in block 63
Block first atom: 7061
Blocpdb> 111 atoms in block 64
Block first atom: 7190
Blocpdb> 101 atoms in block 65
Block first atom: 7301
Blocpdb> 129 atoms in block 66
Block first atom: 7402
Blocpdb> 122 atoms in block 67
Block first atom: 7531
Blocpdb> 123 atoms in block 68
Block first atom: 7653
Blocpdb> 118 atoms in block 69
Block first atom: 7776
Blocpdb> 118 atoms in block 70
Block first atom: 7894
Blocpdb> 117 atoms in block 71
Block first atom: 8012
Blocpdb> 134 atoms in block 72
Block first atom: 8129
Blocpdb> 126 atoms in block 73
Block first atom: 8263
Blocpdb> 120 atoms in block 74
Block first atom: 8389
Blocpdb> 124 atoms in block 75
Block first atom: 8509
Blocpdb> 128 atoms in block 76
Block first atom: 8633
Blocpdb> 111 atoms in block 77
Block first atom: 8761
Blocpdb> 132 atoms in block 78
Block first atom: 8872
Blocpdb> 120 atoms in block 79
Block first atom: 9004
Blocpdb> 129 atoms in block 80
Block first atom: 9124
Blocpdb> 124 atoms in block 81
Block first atom: 9253
Blocpdb> 111 atoms in block 82
Block first atom: 9377
Blocpdb> 117 atoms in block 83
Block first atom: 9488
Blocpdb> 111 atoms in block 84
Block first atom: 9605
Blocpdb> 122 atoms in block 85
Block first atom: 9716
Blocpdb> 110 atoms in block 86
Block first atom: 9838
Blocpdb> 101 atoms in block 87
Block first atom: 9948
Blocpdb> 110 atoms in block 88
Block first atom: 10049
Blocpdb> 52 atoms in block 89
Block first atom: 10159
Blocpdb> 95 atoms in block 90
Block first atom: 10211
Blocpdb> 107 atoms in block 91
Block first atom: 10306
Blocpdb> 103 atoms in block 92
Block first atom: 10413
Blocpdb> 110 atoms in block 93
Block first atom: 10516
Blocpdb> 103 atoms in block 94
Block first atom: 10626
Blocpdb> 111 atoms in block 95
Block first atom: 10729
Blocpdb> 132 atoms in block 96
Block first atom: 10840
Blocpdb> 102 atoms in block 97
Block first atom: 10972
Blocpdb> 116 atoms in block 98
Block first atom: 11074
Blocpdb> 118 atoms in block 99
Block first atom: 11190
Blocpdb> 119 atoms in block 100
Block first atom: 11308
Blocpdb> 112 atoms in block 101
Block first atom: 11427
Blocpdb> 120 atoms in block 102
Block first atom: 11539
Blocpdb> 115 atoms in block 103
Block first atom: 11659
Blocpdb> 117 atoms in block 104
Block first atom: 11774
Blocpdb> 113 atoms in block 105
Block first atom: 11891
Blocpdb> 112 atoms in block 106
Block first atom: 12004
Blocpdb> 123 atoms in block 107
Block first atom: 12116
Blocpdb> 119 atoms in block 108
Block first atom: 12239
Blocpdb> 114 atoms in block 109
Block first atom: 12358
Blocpdb> 116 atoms in block 110
Block first atom: 12472
Blocpdb> 110 atoms in block 111
Block first atom: 12588
Blocpdb> 126 atoms in block 112
Block first atom: 12698
Blocpdb> 120 atoms in block 113
Block first atom: 12824
Blocpdb> 105 atoms in block 114
Block first atom: 12944
Blocpdb> 108 atoms in block 115
Block first atom: 13049
Blocpdb> 115 atoms in block 116
Block first atom: 13157
Blocpdb> 118 atoms in block 117
Block first atom: 13272
Blocpdb> 100 atoms in block 118
Block first atom: 13390
Blocpdb> 122 atoms in block 119
Block first atom: 13490
Blocpdb> 111 atoms in block 120
Block first atom: 13612
Blocpdb> 104 atoms in block 121
Block first atom: 13723
Blocpdb> 102 atoms in block 122
Block first atom: 13827
Blocpdb> 110 atoms in block 123
Block first atom: 13929
Blocpdb> 115 atoms in block 124
Block first atom: 14039
Blocpdb> 113 atoms in block 125
Block first atom: 14154
Blocpdb> 113 atoms in block 126
Block first atom: 14267
Blocpdb> 102 atoms in block 127
Block first atom: 14380
Blocpdb> 111 atoms in block 128
Block first atom: 14482
Blocpdb> 106 atoms in block 129
Block first atom: 14593
Blocpdb> 115 atoms in block 130
Block first atom: 14699
Blocpdb> 107 atoms in block 131
Block first atom: 14814
Blocpdb> 119 atoms in block 132
Block first atom: 14921
Blocpdb> 111 atoms in block 133
Block first atom: 15040
Blocpdb> 114 atoms in block 134
Block first atom: 15151
Blocpdb> 110 atoms in block 135
Block first atom: 15265
Blocpdb> 105 atoms in block 136
Block first atom: 15375
Blocpdb> 112 atoms in block 137
Block first atom: 15480
Blocpdb> 130 atoms in block 138
Block first atom: 15592
Blocpdb> 128 atoms in block 139
Block first atom: 15722
Blocpdb> 119 atoms in block 140
Block first atom: 15850
Blocpdb> 113 atoms in block 141
Block first atom: 15969
Blocpdb> 111 atoms in block 142
Block first atom: 16082
Blocpdb> 106 atoms in block 143
Block first atom: 16193
Blocpdb> 107 atoms in block 144
Block first atom: 16299
Blocpdb> 127 atoms in block 145
Block first atom: 16406
Blocpdb> 131 atoms in block 146
Block first atom: 16533
Blocpdb> 123 atoms in block 147
Block first atom: 16664
Blocpdb> 120 atoms in block 148
Block first atom: 16787
Blocpdb> 124 atoms in block 149
Block first atom: 16907
Blocpdb> 125 atoms in block 150
Block first atom: 17031
Blocpdb> 115 atoms in block 151
Block first atom: 17156
Blocpdb> 129 atoms in block 152
Block first atom: 17271
Blocpdb> 111 atoms in block 153
Block first atom: 17400
Blocpdb> 101 atoms in block 154
Block first atom: 17511
Blocpdb> 129 atoms in block 155
Block first atom: 17612
Blocpdb> 122 atoms in block 156
Block first atom: 17741
Blocpdb> 123 atoms in block 157
Block first atom: 17863
Blocpdb> 118 atoms in block 158
Block first atom: 17986
Blocpdb> 118 atoms in block 159
Block first atom: 18104
Blocpdb> 117 atoms in block 160
Block first atom: 18222
Blocpdb> 134 atoms in block 161
Block first atom: 18339
Blocpdb> 126 atoms in block 162
Block first atom: 18473
Blocpdb> 120 atoms in block 163
Block first atom: 18599
Blocpdb> 124 atoms in block 164
Block first atom: 18719
Blocpdb> 128 atoms in block 165
Block first atom: 18843
Blocpdb> 111 atoms in block 166
Block first atom: 18971
Blocpdb> 132 atoms in block 167
Block first atom: 19082
Blocpdb> 120 atoms in block 168
Block first atom: 19214
Blocpdb> 129 atoms in block 169
Block first atom: 19334
Blocpdb> 124 atoms in block 170
Block first atom: 19463
Blocpdb> 111 atoms in block 171
Block first atom: 19587
Blocpdb> 117 atoms in block 172
Block first atom: 19698
Blocpdb> 111 atoms in block 173
Block first atom: 19815
Blocpdb> 122 atoms in block 174
Block first atom: 19926
Blocpdb> 110 atoms in block 175
Block first atom: 20048
Blocpdb> 101 atoms in block 176
Block first atom: 20158
Blocpdb> 110 atoms in block 177
Block first atom: 20259
Blocpdb> 52 atoms in block 178
Block first atom: 20369
Blocpdb> 95 atoms in block 179
Block first atom: 20421
Blocpdb> 107 atoms in block 180
Block first atom: 20516
Blocpdb> 103 atoms in block 181
Block first atom: 20623
Blocpdb> 110 atoms in block 182
Block first atom: 20726
Blocpdb> 103 atoms in block 183
Block first atom: 20836
Blocpdb> 111 atoms in block 184
Block first atom: 20939
Blocpdb> 132 atoms in block 185
Block first atom: 21050
Blocpdb> 102 atoms in block 186
Block first atom: 21182
Blocpdb> 116 atoms in block 187
Block first atom: 21284
Blocpdb> 118 atoms in block 188
Block first atom: 21400
Blocpdb> 119 atoms in block 189
Block first atom: 21518
Blocpdb> 112 atoms in block 190
Block first atom: 21637
Blocpdb> 120 atoms in block 191
Block first atom: 21749
Blocpdb> 115 atoms in block 192
Block first atom: 21869
Blocpdb> 117 atoms in block 193
Block first atom: 21984
Blocpdb> 113 atoms in block 194
Block first atom: 22101
Blocpdb> 112 atoms in block 195
Block first atom: 22214
Blocpdb> 123 atoms in block 196
Block first atom: 22326
Blocpdb> 119 atoms in block 197
Block first atom: 22449
Blocpdb> 114 atoms in block 198
Block first atom: 22568
Blocpdb> 116 atoms in block 199
Block first atom: 22682
Blocpdb> 110 atoms in block 200
Block first atom: 22798
Blocpdb> 126 atoms in block 201
Block first atom: 22908
Blocpdb> 120 atoms in block 202
Block first atom: 23034
Blocpdb> 105 atoms in block 203
Block first atom: 23154
Blocpdb> 108 atoms in block 204
Block first atom: 23259
Blocpdb> 115 atoms in block 205
Block first atom: 23367
Blocpdb> 118 atoms in block 206
Block first atom: 23482
Blocpdb> 100 atoms in block 207
Block first atom: 23600
Blocpdb> 122 atoms in block 208
Block first atom: 23700
Blocpdb> 111 atoms in block 209
Block first atom: 23822
Blocpdb> 104 atoms in block 210
Block first atom: 23933
Blocpdb> 102 atoms in block 211
Block first atom: 24037
Blocpdb> 110 atoms in block 212
Block first atom: 24139
Blocpdb> 115 atoms in block 213
Block first atom: 24249
Blocpdb> 113 atoms in block 214
Block first atom: 24364
Blocpdb> 113 atoms in block 215
Block first atom: 24477
Blocpdb> 102 atoms in block 216
Block first atom: 24590
Blocpdb> 111 atoms in block 217
Block first atom: 24692
Blocpdb> 106 atoms in block 218
Block first atom: 24803
Blocpdb> 115 atoms in block 219
Block first atom: 24909
Blocpdb> 107 atoms in block 220
Block first atom: 25024
Blocpdb> 119 atoms in block 221
Block first atom: 25131
Blocpdb> 111 atoms in block 222
Block first atom: 25250
Blocpdb> 114 atoms in block 223
Block first atom: 25361
Blocpdb> 110 atoms in block 224
Block first atom: 25475
Blocpdb> 105 atoms in block 225
Block first atom: 25585
Blocpdb> 112 atoms in block 226
Block first atom: 25690
Blocpdb> 130 atoms in block 227
Block first atom: 25802
Blocpdb> 128 atoms in block 228
Block first atom: 25932
Blocpdb> 119 atoms in block 229
Block first atom: 26060
Blocpdb> 113 atoms in block 230
Block first atom: 26179
Blocpdb> 111 atoms in block 231
Block first atom: 26292
Blocpdb> 106 atoms in block 232
Block first atom: 26403
Blocpdb> 107 atoms in block 233
Block first atom: 26509
Blocpdb> 127 atoms in block 234
Block first atom: 26616
Blocpdb> 131 atoms in block 235
Block first atom: 26743
Blocpdb> 123 atoms in block 236
Block first atom: 26874
Blocpdb> 120 atoms in block 237
Block first atom: 26997
Blocpdb> 124 atoms in block 238
Block first atom: 27117
Blocpdb> 125 atoms in block 239
Block first atom: 27241
Blocpdb> 115 atoms in block 240
Block first atom: 27366
Blocpdb> 129 atoms in block 241
Block first atom: 27481
Blocpdb> 111 atoms in block 242
Block first atom: 27610
Blocpdb> 101 atoms in block 243
Block first atom: 27721
Blocpdb> 129 atoms in block 244
Block first atom: 27822
Blocpdb> 122 atoms in block 245
Block first atom: 27951
Blocpdb> 123 atoms in block 246
Block first atom: 28073
Blocpdb> 118 atoms in block 247
Block first atom: 28196
Blocpdb> 118 atoms in block 248
Block first atom: 28314
Blocpdb> 117 atoms in block 249
Block first atom: 28432
Blocpdb> 134 atoms in block 250
Block first atom: 28549
Blocpdb> 126 atoms in block 251
Block first atom: 28683
Blocpdb> 120 atoms in block 252
Block first atom: 28809
Blocpdb> 124 atoms in block 253
Block first atom: 28929
Blocpdb> 128 atoms in block 254
Block first atom: 29053
Blocpdb> 111 atoms in block 255
Block first atom: 29181
Blocpdb> 132 atoms in block 256
Block first atom: 29292
Blocpdb> 120 atoms in block 257
Block first atom: 29424
Blocpdb> 129 atoms in block 258
Block first atom: 29544
Blocpdb> 124 atoms in block 259
Block first atom: 29673
Blocpdb> 111 atoms in block 260
Block first atom: 29797
Blocpdb> 117 atoms in block 261
Block first atom: 29908
Blocpdb> 111 atoms in block 262
Block first atom: 30025
Blocpdb> 122 atoms in block 263
Block first atom: 30136
Blocpdb> 110 atoms in block 264
Block first atom: 30258
Blocpdb> 101 atoms in block 265
Block first atom: 30368
Blocpdb> 110 atoms in block 266
Block first atom: 30469
Blocpdb> 52 atoms in block 267
Block first atom: 30579
Blocpdb> 95 atoms in block 268
Block first atom: 30631
Blocpdb> 107 atoms in block 269
Block first atom: 30726
Blocpdb> 103 atoms in block 270
Block first atom: 30833
Blocpdb> 110 atoms in block 271
Block first atom: 30936
Blocpdb> 103 atoms in block 272
Block first atom: 31046
Blocpdb> 111 atoms in block 273
Block first atom: 31149
Blocpdb> 132 atoms in block 274
Block first atom: 31260
Blocpdb> 102 atoms in block 275
Block first atom: 31392
Blocpdb> 116 atoms in block 276
Block first atom: 31494
Blocpdb> 118 atoms in block 277
Block first atom: 31610
Blocpdb> 119 atoms in block 278
Block first atom: 31728
Blocpdb> 112 atoms in block 279
Block first atom: 31847
Blocpdb> 120 atoms in block 280
Block first atom: 31959
Blocpdb> 115 atoms in block 281
Block first atom: 32079
Blocpdb> 117 atoms in block 282
Block first atom: 32194
Blocpdb> 113 atoms in block 283
Block first atom: 32311
Blocpdb> 112 atoms in block 284
Block first atom: 32424
Blocpdb> 123 atoms in block 285
Block first atom: 32536
Blocpdb> 119 atoms in block 286
Block first atom: 32659
Blocpdb> 114 atoms in block 287
Block first atom: 32778
Blocpdb> 116 atoms in block 288
Block first atom: 32892
Blocpdb> 110 atoms in block 289
Block first atom: 33008
Blocpdb> 126 atoms in block 290
Block first atom: 33118
Blocpdb> 120 atoms in block 291
Block first atom: 33244
Blocpdb> 105 atoms in block 292
Block first atom: 33364
Blocpdb> 108 atoms in block 293
Block first atom: 33469
Blocpdb> 115 atoms in block 294
Block first atom: 33577
Blocpdb> 118 atoms in block 295
Block first atom: 33692
Blocpdb> 100 atoms in block 296
Block first atom: 33810
Blocpdb> 122 atoms in block 297
Block first atom: 33910
Blocpdb> 111 atoms in block 298
Block first atom: 34032
Blocpdb> 104 atoms in block 299
Block first atom: 34143
Blocpdb> 102 atoms in block 300
Block first atom: 34247
Blocpdb> 110 atoms in block 301
Block first atom: 34349
Blocpdb> 115 atoms in block 302
Block first atom: 34459
Blocpdb> 113 atoms in block 303
Block first atom: 34574
Blocpdb> 113 atoms in block 304
Block first atom: 34687
Blocpdb> 102 atoms in block 305
Block first atom: 34800
Blocpdb> 111 atoms in block 306
Block first atom: 34902
Blocpdb> 106 atoms in block 307
Block first atom: 35013
Blocpdb> 115 atoms in block 308
Block first atom: 35119
Blocpdb> 107 atoms in block 309
Block first atom: 35234
Blocpdb> 119 atoms in block 310
Block first atom: 35341
Blocpdb> 111 atoms in block 311
Block first atom: 35460
Blocpdb> 114 atoms in block 312
Block first atom: 35571
Blocpdb> 110 atoms in block 313
Block first atom: 35685
Blocpdb> 105 atoms in block 314
Block first atom: 35795
Blocpdb> 112 atoms in block 315
Block first atom: 35900
Blocpdb> 130 atoms in block 316
Block first atom: 36012
Blocpdb> 128 atoms in block 317
Block first atom: 36142
Blocpdb> 119 atoms in block 318
Block first atom: 36270
Blocpdb> 113 atoms in block 319
Block first atom: 36389
Blocpdb> 111 atoms in block 320
Block first atom: 36502
Blocpdb> 106 atoms in block 321
Block first atom: 36613
Blocpdb> 107 atoms in block 322
Block first atom: 36719
Blocpdb> 127 atoms in block 323
Block first atom: 36826
Blocpdb> 131 atoms in block 324
Block first atom: 36953
Blocpdb> 123 atoms in block 325
Block first atom: 37084
Blocpdb> 120 atoms in block 326
Block first atom: 37207
Blocpdb> 124 atoms in block 327
Block first atom: 37327
Blocpdb> 125 atoms in block 328
Block first atom: 37451
Blocpdb> 115 atoms in block 329
Block first atom: 37576
Blocpdb> 129 atoms in block 330
Block first atom: 37691
Blocpdb> 111 atoms in block 331
Block first atom: 37820
Blocpdb> 101 atoms in block 332
Block first atom: 37931
Blocpdb> 129 atoms in block 333
Block first atom: 38032
Blocpdb> 122 atoms in block 334
Block first atom: 38161
Blocpdb> 123 atoms in block 335
Block first atom: 38283
Blocpdb> 118 atoms in block 336
Block first atom: 38406
Blocpdb> 118 atoms in block 337
Block first atom: 38524
Blocpdb> 117 atoms in block 338
Block first atom: 38642
Blocpdb> 134 atoms in block 339
Block first atom: 38759
Blocpdb> 126 atoms in block 340
Block first atom: 38893
Blocpdb> 120 atoms in block 341
Block first atom: 39019
Blocpdb> 124 atoms in block 342
Block first atom: 39139
Blocpdb> 128 atoms in block 343
Block first atom: 39263
Blocpdb> 111 atoms in block 344
Block first atom: 39391
Blocpdb> 132 atoms in block 345
Block first atom: 39502
Blocpdb> 120 atoms in block 346
Block first atom: 39634
Blocpdb> 129 atoms in block 347
Block first atom: 39754
Blocpdb> 124 atoms in block 348
Block first atom: 39883
Blocpdb> 111 atoms in block 349
Block first atom: 40007
Blocpdb> 117 atoms in block 350
Block first atom: 40118
Blocpdb> 111 atoms in block 351
Block first atom: 40235
Blocpdb> 122 atoms in block 352
Block first atom: 40346
Blocpdb> 110 atoms in block 353
Block first atom: 40468
Blocpdb> 101 atoms in block 354
Block first atom: 40578
Blocpdb> 110 atoms in block 355
Block first atom: 40679
Blocpdb> 52 atoms in block 356
Block first atom: 40788
Blocpdb> 356 blocks.
Blocpdb> At most, 134 atoms in each of them.
Blocpdb> At least, 52 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: 49414645 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 0m0.227s
user 0m0.212s
sys 0m0.015s
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.
|
