Execution Time0.88s

Test: CLUSTER_WHAM_M_remd (Passed)
Build: devel Linux-gfortan-MPI E0LL2Y (m10) on 2024-04-16 03:47:08
Repository revision: 3d79e89922e83ded1dd9fe7689d30b45567bd6ef

Processors[Graph]1

Show Command Line
Show Test Time Graph
Show Failing/Passing Graph

Test output
CTEST_FULL_OUTPUT
wrong number of coordinates in xdr3dfcoor; -1 arg vs 42 in file JESTEM
 T          65           1
 T          65           5
 T          65           8
 T          65          10
 T          65          11
 T          65          12
 T          65          15
 T          65          16
 T          65          19
 T          65          20
 T          65          22
 T          65          23
 T          65          24
 T          65          26
 T          65          27
 T          65          28
 T          65          30
 T          65          34
 T          65          35
 T          65          36
 T          65          39
 T          65          41
 T          65          44
 T          65          45
 T          65          52
 T          65          60
 T          65          62
 T          65          68
 T          65          73
 T          65          74
 T          65          75
 T          65          76
 T          65          77
 T          65          83
 T          65          87
 T          65          91
 T          65          97
 T          65          98
 T          65         104
 T          65         110
 T          65         111
 T          65         113
 T          65         114
 T          65         115
 T          65         117
 T          65         121
 T          65         124
 T          65         128
 T          65         129
 T          65         134
 T          65         137
 T          65         138
 T          65         141
 T          65         146
 T          65         147
 T          65         151
 T          65         155
 T          65         161
 T          65         164
 T          65         175
 T          65         177
 T          65         178
 T          65         183
 T          65         186
 T          65         193
 T          65         196
 T          65         205
 T          65         211
 T          65         216
 T          65         219
 T          65         220
 T          65         221
 T          65         226
 T          65         229
 T          65         231
 T          65         234
 T          65         238
 T          65         250
 T          65         252
 T          65         257
 T          65         259
 T          65         261
 T          65         265
 T          65         269
 T          65         271
 T          65         277
 T          65         278
 T          65         283
 T          65         291
 T          65         294
 T          65         298
 T          65         299
 T          65         303
 T          65         307
 T          65         312
 T          65         316
 T          65         318
 T          65         319
 T          65         323
 T          65         327
 T          65         331
 T          65         338
 T          65         344
 T          65         346
 T          65         347
 T          65         353
 T          65         355
 T          65         356
 T          65         358
 T          65         359
 T          65         362
 T          65         373
 T          65         374
 T          65         378
 T          65         386
 T          65         389
 T          65         394
 T          65         405
 T          65         413
 T          65         416
 T          65         420
 T          65         429
 T          65         439
 T          65         440
 T          65         441
 T          65         447
 T          65         448
 T          65         453
 T          65         478
 T          65         479
 T          65         489
 T          65         499
 T          65         510
 T          65         513
 T          65         537
 T          65         538
 T          65         544
 T          65         545
 T          65         552
 T          65         554
 T          65         560
 T          65         563
 T          65         571
 T          65           2
 T          65           6
 T          65           9
 T          65          17
 T          65          29
 T          65          31
 T          65          40
 T          65          47
 T          65          49
 T          65          55
 T          65          57
 T          65          66
 T          65          70
 T          65          81
 T          65          82
 T          65          84
 T          65          89
 T          65          90
 T          65          92
 T          65          93
 T          65          94
 T          65         100
 T          65         101
 T          65         107
 T          65         118
 T          65         119
 T          65         120
 T          65         123
 T          65         125
 T          65         131
 T          65         132
 T          65         133
 T          65         143
 T          65         145
 T          65         150
 T          65         152
 T          65         153
 T          65         159
 T          65         162
 T          65         166
 T          65         172
 T          65         173
 T          65         180
 T          65         182
 T          65         191
 T          65         194
 T          65         203
 T          65         204
 T          65         207
 T          65         210
 T          65         213
 T          65         222
 T          65         228
 T          65         232
 T          65         235
 T          65         240
 T          65         241
 T          65         246
 T          65         251
 T          65         256
 T          65         258
 T          65         262
 T          65         270
 T          65         272
 T          65         273
 T          65         275
 T          65         279
 T          65         281
 T          65         284
 T          65         285
 T          65         286
 T          65         288
 T          65         290
 T          65         296
 T          65         301
 T          65         305
 T          65         308
 T          65         315
 T          65         321
 T          65         324
 T          65         325
 T          65         330
 T          65         333
 T          65         336
 T          65         337
 T          65         350
 T          65         369
 T          65         370
 T          65         377
 T          65         379
 T          65         380
 T          65         387
 T          65         388
 T          65         395
 T          65         398
 T          65         403
 T          65         419
 T          65         423
 T          65         428
 T          65         436
 T          65         445
 T          65         452
 T          65         456
 T          65         457
 T          65         459
 T          65         461
 T          65         462
 T          65         463
 T          65         464
 T          65         467
 T          65         471
 T          65         475
 T          65         476
 T          65         497
 T          65         498
 T          65         500
 T          65         506
 T          65         507
 T          65         511
 T          65         521
 T          65         530
 T          65         534
 T          65         539
 T          65         550
 T          65         551
 T          65         559
 T          65         568
 T          65         575
 T          65           3
 T          65          21
 T          65          33
 T          65          43
 T          65          51
 T          65          54
 T          65          58
 T          65          64
 T          65          67
 T          65          69
 T          65          71
 T          65          79
 T          65          85
 T          65          96
 T          65          99
 T          65         102
 T          65         122
 T          65         126
 T          65         127
 T          65         130
 T          65         135
 T          65         140
 T          65         142
 T          65         148
 T          65         149
 T          65         154
 T          65         165
 T          65         167
 T          65         168
 T          65         171
 T          65         176
 T          65         179
 T          65         181
 T          65         192
 T          65         197
 T          65         198
 T          65         199
 T          65         201
 T          65         206
 T          65         208
 T          65         209
 T          65         212
 T          65         214
 T          65         215
 T          65         217
 T          65         223
 T          65         227
 T          65         233
 T          65         236
 T          65         242
 T          65         243
 T          65         245
 T          65         260
 T          65         267
 T          65         268
 T          65         276
 T          65         280
 T          65         289
 T          65         292
 T          65         297
 T          65         300
 T          65         302
 T          65         311
 T          65         314
 T          65         322
 T          65         329
 T          65         341
 T          65         343
 T          65         345
 T          65         349
 T          65         357
 T          65         363
 T          65         366
 T          65         368
 T          65         371
 T          65         375
 T          65         385
 T          65         391
 T          65         400
 T          65         402
 T          65         404
 T          65         406
 T          65         409
 T          65         410
 T          65         412
 T          65         415
 T          65         424
 T          65         432
 T          65         433
 T          65         434
 T          65         437
 T          65         442
 T          65         443
 T          65         444
 T          65         446
 T          65         449
 T          65         460
 T          65         469
 T          65         473
 T          65         477
 T          65         487
 T          65         492
 T          65         509
 T          65         512
 T          65         517
 T          65         519
 T          65         523
 T          65         524
 T          65         526
 T          65         528
 T          65         533
 T          65         540
 T          65         541
 T          65         542
 T          65         546
 T          65         548
 T          65         553
 T          65         556
 T          65         558
 T          65         564
 T          65         566
 T          65         572
 T          65         573
 T          65           4
 T          65           7
 T          65          13
 T          65          14
 T          65          18
 T          65          37
 T          65          38
 T          65          48
 T          65          50
 T          65          53
 T          65          56
 T          65          59
 T          65          61
 T          65          65
 T          65          72
 T          65          78
 T          65          86
 T          65          95
 T          65         109
 T          65         112
 T          65         116
 T          65         136
 T          65         156
 T          65         157
 T          65         158
 T          65         160
 T          65         169
 T          65         184
 T          65         187
 T          65         188
 T          65         189
 T          65         190
 T          65         195
 T          65         200
 T          65         202
 T          65         218
 T          65         224
 T          65         225
 T          65         230
 T          65         237
 T          65         248
 T          65         253
 T          65         255
 T          65         263
 T          65         264
 T          65         266
 T          65         274
 T          65         282
 T          65         287
 T          65         293
 T          65         295
 T          65         304
 T          65         309
 T          65         310
 T          65         320
 T          65         328
 T          65         334
 T          65         335
 T          65         339
 T          65         340
 T          65        Note: The following floating-point exceptions are signalling: IEEE_INVALID_FLAG IEEE_DIVIDE_BY_ZERO
STOP ********** Program terminated normally.
Note: The following floating-point exceptions are signalling: IEEE_INVALID_FLAG IEEE_DIVIDE_BY_ZERO
STOP ********** Program terminated normally.
 342
 T          65         348
 T          65         354
 T          65         360
 T          65         365
 T          65         367
 T          65         372
 T          65         381
 T          65         383
 T          65         384
 T          65         392
 T          65         396
 T          65         397
 T          65         401
 T          65         408
 T          65         411
 T          65         417
 T          65         418
 T          65         421
 T          65         422
 T          65         430
 T          65         435
 T          65         458
 T          65         465
 T          65         468
 T          65         470
 T          65         472
 T          65         474
 T          65         480
 T          65         482
 T          65         483
 T          65         488
 T          65         490
 T          65         491
 T          65         494
 T          65         496
 T          65         501
 T          65         502
 T          65         504
 T          65         508
 T          65         516
 T          65         518
 T          65         520
 T          65         525
 T          65         527
 T          65         529
 T          65         532
 T          65         535
 T          65         543
 T          65         555
 T          65         565
 T          65         569
 T          65         570
 T          65          25
 T          65          32
 T          65          42
 T          65          46
 T          65          63
 T          65          80
 T          65          88
 T          65         103
 T          65         105
 T          65         106
 T          65         108
 T          65         139
 T          65         144
 T          65         163
 T          65         170
 T          65         174
 T          65         185
 T          65         239
 T          65         244
 T          65         247
 T          65         249
 T          65         254
 T          65         306
 T          65         313
 T          65         317
 T          65         326
 T          65         332
 T          65         351
 T          65         352
 T          65         361
 T          65         364
 T          65         376
 T          65         382
 T          65         390
 T          65         393
 T          65         399
 T          65         407
 T          65         414
 T          65         425
 T          65         426
 T          65         427
 T          65         431
 T          65         438
 T          65         450
 T          65         451
 T          65         454
 T          65         455
 T          65         466
 T          65         481
 T          65         484
 T          65         485
 T          65         486
 T          65         493
 T          65         495
 T          65         503
 T          65         505
 T          65         514
 T          65         515
 T          65         522
 T          65         531
 T          65         536
 T          65         547
 T          65         549
 T          65         557
 T          65         561
 T          65         562
 T          65         567
 T          65         574
THERE ARE    5 FAMILIES OF CONFORMATIONS
1L2Y_wham_T280K_0001.pdb:REMARK CLUSTER    1 FREE ENERGY  -3.63351E+00 AVE RMSD 3.31
1L2Y_wham_T280K_0001.pdb:REMARK 1L2Y clustering      ENERGY    -1.18055E+00 RMS    2.81
1L2Y_wham_T280K_0002.pdb:REMARK CLUSTER    2 FREE ENERGY  -3.49023E+00 AVE RMSD 2.71
1L2Y_wham_T280K_0002.pdb:REMARK 1L2Y clustering      ENERGY    -1.17937E+00 RMS    2.35
1L2Y_wham_T280K_0003.pdb:REMARK CLUSTER    3 FREE ENERGY  -3.39328E+00 AVE RMSD 3.24
1L2Y_wham_T280K_0003.pdb:REMARK 1L2Y clustering      ENERGY    -1.17917E+00 RMS    3.08
1L2Y_wham_T280K_0004.pdb:REMARK CLUSTER    4 FREE ENERGY  -3.33458E+00 AVE RMSD 2.85
1L2Y_wham_T280K_0004.pdb:REMARK 1L2Y clustering      ENERGY    -1.17823E+00 RMS    3.03
1L2Y_wham_T280K_0005.pdb:REMARK CLUSTER    5 FREE ENERGY  -2.95461E+00 AVE RMSD 5.18
1L2Y_wham_T280K_0005.pdb:REMARK 1L2Y clustering      ENERGY    -1.17076E+00 RMS    4.94