Execution Time0.83s

Test: CLUSTER_WHAM_M_remd (Passed)
Build: devel Linux-gfortan-MPI E0LL2Y (dell15) on 2020-03-30 03:45:03
Repository revision: b3efc8d5acc9051f49c246721f0d1f78dde46d01


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

Test output
CTEST_FULL_OUTPUT
 T  2124406848           2
 T  2124406848           5
 T  2124406848           6
 T  2124406848           9
 T  2124406848          10
 T  2124406848          12
 T  2124406848          14
 T  2124406848          15
 T  2124406848          16
 T  2124406848          17
 T  2124406848          18
 T  2124406848          20
 T  2124406848          21
 T  2124406848          22
 T  2124406848          24
 T  2124406848          27
 T  2124406848          29
 T  2124406848          30
 T  2124406848          32
 T  2124406848          34
 T  2124406848          35
 T  2124406848          38
 T  2124406848          40
 T  2124406848          41
 T  2124406848          45
 T  2124406848          51
 T  2124406848          52
 T  2124406848          57
 T  2124406848          64
 T  2124406848          66
 T  2124406848          67
 T  2124406848          71
 T  2124406848          78
 T  2124406848          79
 T  2124406848          85
 T  2124406848          86
 T  2124406848          91
 T  2124406848         101
 T  2124406848         106
 T  2124406848         107
 T  2124406848         108
 T  2124406848         110
 T  2124406848         112
 T  2124406848         117
 T  2124406848         118
 T  2124406848         119
 T  2124406848         121
 T  2124406848         125
 T  2124406848         127
 T  2124406848         128
 T  2124406848         132
 T  2124406848         136
 T  2124406848         139
 T  2124406848         141
 T  2124406848         142
 T  2124406848         148
 T  2124406848         151
 T  2124406848         159
 T  2124406848         167
 T  2124406848         168
 T  2124406848         171
 T  2124406848         178
 T  2124406848         179
 T  2124406848         182
 T  2124406848         191
 T  2124406848         193
 T  2124406848         197
 T  2124406848         209
 T  2124406848         210
 T  2124406848         212
 T  2124406848         218
 T  2124406848         221
 T  2124406848         222
 T  2124406848         227
 T  2124406848         231
 T  2124406848         233
 T  2124406848         235
 T  2124406848         251
 T  2124406848         252
 T  2124406848         254
 T  2124406848         256
 T  2124406848         259
 T  2124406848         260
 T  2124406848         267
 T  2124406848         269
 T  2124406848         276
 T  2124406848         278
 T  2124406848         280
 T  2124406848         284
 T  2124406848         295
 T  2124406848         297
 T  2124406848         299
 T  2124406848         300
 T  2124406848         303
 T  2124406848         314
 T  2124406848         315
 T  2124406848         318
 T  2124406848         319
 T  2124406848         324
 T  2124406848         326
 T  2124406848         329
 T  2124406848         340
 T  2124406848         343
 T  2124406848         346
 T  2124406848         348
 T  2124406848         352
 T  2124406848         353
 T  2124406848         355
 T  2124406848         357
 T  2124406848         360
 T  2124406848         362
 T  2124406848         371
 T  2124406848         373
 T  2124406848         376
 T  2124406848         386
 T  2124406848         390
 T  2124406848         392
 T  2124406848         405
 T  2124406848         414
 T  2124406848         415
 T  2124406848         419
 T  2124406848         431
 T  2124406848         434
 T  2124406848         436
 T  2124406848         437
 T  2124406848         444
 T  2124406848         448
 T  2124406848         454
 T  2124406848         481
 T  2124406848         483
 T  2124406848         492
 T  2124406848         499
 T  2124406848         509
 T  2124406848         511
 T  2124406848         537
 T  2124406848         538
 T  2124406848         544
 T  2124406848         546
 T  2124406848         552
 T  2124406848         555
 T  2124406848         558
 T  2124406848         563
 T  2124406848         573
 T  2124406848         574
 T  2124406848          23
 T  2124406848          25
 T  2124406848          26
 T  2124406848          33
 T  2124406848          37
 T  2124406848          39
 T  2124406848          44
 T  2124406848          46
 T  2124406848          55
 T  2124406848          56
 T  2124406848          61
 T  2124406848          68
 T  2124406848          73
 T  2124406848          81
 T  2124406848          82
 T  2124406848          87
 T  2124406848          88
 T  2124406848          95
 T  2124406848          98
 T  2124406848          99
 T  2124406848         102
 T  2124406848         104
 T  2124406848         105
 T  2124406848         113
 T  2124406848         114
 T  2124406848         115
 T  2124406848         122
 T  2124406848         123
 T  2124406848         124
 T  2124406848         134
 T  2124406848         135
 T  2124406848         138
 T  2124406848         144
 T  2124406848         147
 T  2124406848         149
 T  2124406848         152
 T  2124406848         154
 T  2124406848         158
 T  2124406848         162
 T  2124406848         172
 T  2124406848         173
 T  2124406848         175
 T  2124406848         185
 T  2124406848         186
 T  2124406848         192
 T  2124406848         195
 T  2124406848         203
 T  2124406848         204
 T  2124406848         205
 T  2124406848         206
 T  2124406848         214
 T  2124406848         224
 T  2124406848         228
 T  2124406848         234
 T  2124406848         239
 T  2124406848         240
 T  2124406848         243
 T  2124406848         246
 T  2124406848         253
 T  2124406848         258
 T  2124406848         261
 T  2124406848         263
 T  2124406848         270
 T  2124406848         271
 T  2124406848         274
 T  2124406848         275
 T  2124406848         277
 T  2124406848         282
 T  2124406848         285
 T  2124406848         286
 T  2124406848         287
 T  2124406848         289
 T  2124406848         291
 T  2124406848         296
 T  2124406848         304
 T  2124406848         307
 T  2124406848         311
 T  2124406848         316
 T  2124406848         321
 T  2124406848         325
 T  2124406848         328
 T  2124406848         332
 T  2124406848         334
 T  2124406848         335
 T  2124406848         337
 T  2124406848         351
 T  2124406848         369
 T  2124406848         370
 T  2124406848         377
 T  2124406848         380
 T  2124406848         381
 T  2124406848         387
 T  2124406848         389
 T  2124406848         397
 T  2124406848         398
 T  2124406848         403
 T  2124406848         418
 T  2124406848         423
 T  2124406848         429
 T  2124406848         440
 T  2124406848         445
 T  2124406848         455
 T  2124406848         456
 T  2124406848         457
 T  2124406848         459
 T  2124406848         460
 T  2124406848         461
 T  2124406848         464
 T  2124406848         466
 T  2124406848         467
 T  2124406848         471
 T  2124406848         475
 T  2124406848         476
 T  2124406848         497
 T  2124406848         498
 T  2124406848         502
 T  2124406848         506
 T  2124406848         507
 T  2124406848         510
 T  2124406848         522
 T  2124406848         531
 T  2124406848         534
 T  2124406848         539
 T  2124406848         550
 T  2124406848         551
 T  2124406848         561
 T  2124406848         568
 T  2124406848          28
 T  2124406848          43
 T  2124406848          53
 T  2124406848          59
 T  2124406848          62
 T  2124406848          65
 T  2124406848          70
 T  2124406848          76
 T  2124406848          77
 T  2124406848          80
 T  2124406848          84
 T  2124406848          90
 T  2124406848          92
 T  2124406848          97
 T  2124406848         103
 T  2124406848         109
 T  2124406848         126
 T  2124406848         129
 T  2124406848         133
 T  2124406848         137
 T  2124406848         143
 T  2124406848         145
 T  2124406848         146
 T  2124406848         150
 T  2124406848         153
 T  2124406848         157
 T  2124406848         169
 T  2124406848         170
 T  2124406848         174
 T  2124406848         176
 T  2124406848         180
 T  2124406848         181
 T  2124406848         184
 T  2124406848         196
 T  2124406848         200
 T  2124406848         201
 T  2124406848         202
 T  2124406848         207
 T  2124406848         208
 T  2124406848         211
 T  2124406848         213
 T  2124406848         216
 T  2124406848         217
 T  2124406848         219
 T  2124406848         220
 T  2124406848         223
 T  2124406848         230
 T  2124406848         236
 T  2124406848         241
 T  2124406848         244
 T  2124406848         245
 T  2124406848         247
 T  2124406848         265
 T  2124406848         268
 T  2124406848         272
 T  2124406848         279
 T  2124406848         283
 T  2124406848         292
 T  2124406848         293
 T  2124406848         298
 T  2124406848         302
 T  2124406848         305
 T  2124406848         313
 T  2124406848         317
 T  2124406848         322
 T  2124406848         330
 T  2124406848         341
 T  2124406848         344
 T  2124406848         345
 T  2124406848         354
 T  2124406848         356
 T  2124406848         365
 T  2124406848         367
 T  2124406848         368
 T  2124406848         374
 T  2124406848         378
 T  2124406848         388
 T  2124406848         393
 T  2124406848         400
 T  2124406848         401
 T  2124406848         406
 T  2124406848         407
 T  2124406848         410
 T  2124406848         412
 T  2124406848         413
 T  2124406848         417
 T  2124406848         428
 T  2124406848         432
 T  2124406848         435
 T  2124406848         438
 T  2124406848         441
 T  2124406848         442
 T  2124406848         443
 T  2124406848         447
 T  2124406848         449
 T  2124406848         451
 T  2124406848         463
 T  2124406848         469
 T  2124406848         474
 T  2124406848         478
 T  2124406848         487
 T  2124406848         494
 T  2124406848         512
 T  2124406848         514
 T  2124406848         519
 T  2124406848         521
 T  2124406848         523
 T  2124406848         524
 T  2124406848         526
 T  2124406848         529
 T  2124406848         533
 T  2124406848         540
 T  2124406848         542
 T  2124406848         543
 T  2124406848         548
 T  2124406848         549
 T  2124406848         554
 T  2124406848         557
 T  2124406848         562
 T  2124406848         564
 T  2124406848         566
 T  2124406848         572
 T  2124406848         575
 T  2124406848           1
 T  2124406848          11
 T  2124406848          19
 T  2124406848          31
 T  2124406848          36
 T  2124406848          42
 T  2124406848          47
 T  2124406848          48
 T  2124406848          49
 T  2124406848          50
 T  2124406848          54
 T  2124406848          58
 T  2124406848          60
 T  2124406848          69
 T  2124406848          72
 T  2124406848          74
 T  2124406848          83
 T  2124406848         100
 T  2124406848         111
 T  2124406848         116
 T  2124406848         120
 T  2124406848         140
 T  2124406848         156
 T  2124406848         161
 T  2124406848         163
 T  2124406848         165
 T  2124406848         166
 T  2124406848         183
 T  2124406848         187
 T  2124406848         188
 T  2124406848         189
 T  2124406848         190
 T  2124406848         194
 T  2124406848         198
 T  2124406848         199
 T  2124406848         215
 T  2124406848         225
 T  2124406848         226
 T  2124406848         229
 T  2124406848         237
 T  2124406848         250
 T  2124406848         255
 T  2124406848         257
 T  2124406848         262
 T  2124406848         264
 T  2124406848         266
 T  2124406848         273
 T  2124406848         281
 T  2124406848         288
 T  2124406848         290
 T  2124406848         294
 T  2124406848         306
 T  2124406848         309
 T  2124406848         310
 T  2124406848         320
 T  2124406848         327
 T  2124406848         333
 T  2124406848         336
 T  2124406848         338
 T  2124406848         339
 T  2124406848         342
STOP ********** Program terminated normally.
STOP ********** Program terminated normally.
 T  2124406848         347
 T  2124406848         358
 T  2124406848         359
 T  2124406848         361
 T  2124406848         366
 T  2124406848         372
 T  2124406848         382
 T  2124406848         383
 T  2124406848         384
 T  2124406848         394
 T  2124406848         396
 T  2124406848         399
 T  2124406848         402
 T  2124406848         408
 T  2124406848         409
 T  2124406848         416
 T  2124406848         420
 T  2124406848         421
 T  2124406848         422
 T  2124406848         430
 T  2124406848         433
 T  2124406848         458
 T  2124406848         465
 T  2124406848         468
 T  2124406848         470
 T  2124406848         472
 T  2124406848         473
 T  2124406848         480
 T  2124406848         482
 T  2124406848         486
 T  2124406848         488
 T  2124406848         490
 T  2124406848         491
 T  2124406848         495
 T  2124406848         496
 T  2124406848         503
 T  2124406848         504
 T  2124406848         505
 T  2124406848         508
 T  2124406848         516
 T  2124406848         518
 T  2124406848         520
 T  2124406848         525
 T  2124406848         527
 T  2124406848         528
 T  2124406848         532
 T  2124406848         536
 T  2124406848         541
 T  2124406848         556
 T  2124406848         565
 T  2124406848         569
 T  2124406848         571
 T  2124406848           3
 T  2124406848           4
 T  2124406848           7
 T  2124406848           8
 T  2124406848          13
 T  2124406848          63
 T  2124406848          75
 T  2124406848          89
 T  2124406848          93
 T  2124406848          94
 T  2124406848          96
 T  2124406848         130
 T  2124406848         131
 T  2124406848         155
 T  2124406848         160
 T  2124406848         164
 T  2124406848         177
 T  2124406848         232
 T  2124406848         238
 T  2124406848         242
 T  2124406848         248
 T  2124406848         249
 T  2124406848         301
 T  2124406848         308
 T  2124406848         312
 T  2124406848         323
 T  2124406848         331
 T  2124406848         349
 T  2124406848         350
 T  2124406848         363
 T  2124406848         364
 T  2124406848         375
 T  2124406848         379
 T  2124406848         385
 T  2124406848         391
 T  2124406848         395
 T  2124406848         404
 T  2124406848         411
 T  2124406848         424
 T  2124406848         425
 T  2124406848         426
 T  2124406848         427
 T  2124406848         439
 T  2124406848         446
 T  2124406848         450
 T  2124406848         452
 T  2124406848         453
 T  2124406848         462
 T  2124406848         477
 T  2124406848         479
 T  2124406848         484
 T  2124406848         485
 T  2124406848         489
 T  2124406848         493
 T  2124406848         500
 T  2124406848         501
 T  2124406848         513
 T  2124406848         515
 T  2124406848         517
 T  2124406848         530
 T  2124406848         535
 T  2124406848         545
 T  2124406848         547
 T  2124406848         553
 T  2124406848         559
 T  2124406848         560
 T  2124406848         567
 T  2124406848         570
THERE ARE    5 FAMILIES OF CONFORMATIONS
1L2Y_wham_T280K_0001.pdb:REMARK CLUSTER    1 FREE ENERGY  -3.65540E+00 AVE RMSD 3.31
1L2Y_wham_T280K_0001.pdb:REMARK 1L2Y clustering      ENERGY    -1.20358E+00 RMS    3.55
1L2Y_wham_T280K_0002.pdb:REMARK CLUSTER    2 FREE ENERGY  -3.50455E+00 AVE RMSD 2.71
1L2Y_wham_T280K_0002.pdb:REMARK 1L2Y clustering      ENERGY    -1.19195E+00 RMS    2.78
1L2Y_wham_T280K_0003.pdb:REMARK CLUSTER    3 FREE ENERGY  -3.40308E+00 AVE RMSD 3.24
1L2Y_wham_T280K_0003.pdb:REMARK 1L2Y clustering      ENERGY    -1.18961E+00 RMS    3.08
1L2Y_wham_T280K_0004.pdb:REMARK CLUSTER    4 FREE ENERGY  -3.35113E+00 AVE RMSD 2.85
1L2Y_wham_T280K_0004.pdb:REMARK 1L2Y clustering      ENERGY    -1.20366E+00 RMS    3.03
1L2Y_wham_T280K_0005.pdb:REMARK CLUSTER    5 FREE ENERGY  -2.98650E+00 AVE RMSD 5.18
1L2Y_wham_T280K_0005.pdb:REMARK 1L2Y clustering      ENERGY    -1.20178E+00 RMS    4.47