Execution Time1.40s

Test: CLUSTER_WHAM_M_remd (Passed)
Build: devel Linux-gfortan-MPI E0LL2Y (dell15) on 2024-04-16 03:45:04
Repository revision: 3d79e89922e83ded1dd9fe7689d30b45567bd6ef


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