2026-05-22 03:40:03 NPdock start
2026-05-22 03:40:03 ver: server
2026-05-22 03:40:03 mode: 11111
2026-05-22 03:40:03 is RNA? 0
2026-05-22 03:40:03 Interface: prot: '' na: ''
2026-05-22 03:40:03 Curr dir:/home/rpdock/web/media/jobs/ed318264-4b82-4a49-abd0-634cd5ffbd0c/
2026-05-22 03:40:03 GRAMM in progress...
2026-05-22 03:40:03 python /home/rpdock/run_gramm//run_gramm1.py -d 20000 -p prot.pdb -r na.pdb  -pi '' -ri '' -n 1 -pf '*' -rf '*'
2026-05-22 04:16:38 GRAMM done
2026-05-22 04:16:38 DNP scoring in progress...
2026-05-22 04:16:38 time python /home/rpdock/run_gramm//DNP/laczony/QUASI-DNP-QDV_potential_1.0.py -m 100 -f list.txt -o dnp_out.txt
2026-05-22 04:16:39 QDV-DNP starts
2026-05-22 04:16:39 Show log every 100 structures
2026-05-22 04:16:39 QUASI-DNP starts
2026-05-22 04:16:39 prot-na_1000.pdb -542595.718918
2026-05-22 04:17:04 prot-na_94.pdb -431472.389293
2026-05-22 04:17:29 prot-na_194.pdb -458027.043506
2026-05-22 04:17:55 prot-na_294.pdb -632645.984575
2026-05-22 04:18:22 prot-na_394.pdb -1011762.15529
2026-05-22 04:18:49 prot-na_494.pdb -285203.498487
2026-05-22 04:19:16 prot-na_594.pdb -379309.696568
2026-05-22 04:19:43 prot-na_694.pdb -380113.545676
2026-05-22 04:20:10 prot-na_794.pdb -278792.987931
2026-05-22 04:20:37 prot-na_894.pdb -168307.291718
2026-05-22 04:21:04 prot-na_994.pdb -554754.879644
2026-05-22 04:21:31 prot-na_1100.pdb -963913.267143
2026-05-22 04:21:58 prot-na_1200.pdb -521002.67897
2026-05-22 04:22:26 prot-na_1300.pdb -1050755.65187
2026-05-22 04:22:53 prot-na_1400.pdb -775091.703482
2026-05-22 04:23:21 prot-na_1500.pdb -406753.073939
2026-05-22 04:23:52 prot-na_1600.pdb -814451.510149
2026-05-22 04:24:21 prot-na_1700.pdb -591411.05754
2026-05-22 04:24:50 prot-na_1800.pdb -264150.737134
2026-05-22 04:25:21 prot-na_1900.pdb -380725.711579
2026-05-22 04:25:50 prot-na_2000.pdb -857363.685099
2026-05-22 04:26:19 prot-na_2100.pdb -843822.277094
2026-05-22 04:26:47 prot-na_2200.pdb -742748.59014
2026-05-22 04:27:17 prot-na_2300.pdb -382484.33648
2026-05-22 04:27:45 prot-na_2400.pdb -435539.612276
2026-05-22 04:28:14 prot-na_2500.pdb -796011.676421
2026-05-22 04:28:42 prot-na_2600.pdb -363991.383539
2026-05-22 04:29:11 prot-na_2700.pdb -440656.02922
2026-05-22 04:29:39 prot-na_2800.pdb -839795.640505
2026-05-22 04:30:07 prot-na_2900.pdb -443138.021293
2026-05-22 04:30:36 prot-na_3000.pdb -1021861.88654
2026-05-22 04:31:04 prot-na_3100.pdb -892356.269181
2026-05-22 04:31:33 prot-na_3200.pdb -747957.555217
2026-05-22 04:32:01 prot-na_3300.pdb -611165.919541
2026-05-22 04:32:29 prot-na_3400.pdb -662363.664495
2026-05-22 04:32:56 prot-na_3500.pdb -483218.527095
2026-05-22 04:33:24 prot-na_3600.pdb -605253.775951
2026-05-22 04:33:52 prot-na_3700.pdb -601432.575293
2026-05-22 04:34:19 prot-na_3800.pdb -255461.013355
2026-05-22 04:34:44 prot-na_3900.pdb -928784.873308
2026-05-22 04:35:08 prot-na_4000.pdb -1040936.27563
2026-05-22 04:35:33 prot-na_4100.pdb -892699.552491
2026-05-22 04:35:58 prot-na_4200.pdb -560831.149765
2026-05-22 04:36:22 prot-na_4300.pdb -559580.74563
2026-05-22 04:36:47 prot-na_4400.pdb -792166.972386
2026-05-22 04:37:11 prot-na_4500.pdb -111468.97715
2026-05-22 04:37:37 prot-na_4600.pdb -749838.996857
2026-05-22 04:38:01 prot-na_4700.pdb -405861.383201
2026-05-22 04:38:26 prot-na_4800.pdb -601153.396795
2026-05-22 04:38:51 prot-na_4900.pdb -788973.490021
2026-05-22 04:39:16 prot-na_5000.pdb -344819.947752
2026-05-22 04:39:41 prot-na_5100.pdb -629931.785439
2026-05-22 04:40:05 prot-na_5200.pdb -843012.537677
2026-05-22 04:40:30 prot-na_5300.pdb -604867.823549
2026-05-22 04:40:55 prot-na_5400.pdb -659873.261889
2026-05-22 04:41:19 prot-na_5500.pdb -402304.664014
2026-05-22 04:41:44 prot-na_5600.pdb -602999.95108
2026-05-22 04:42:09 prot-na_5700.pdb -342639.029864
2026-05-22 04:42:34 prot-na_5800.pdb -650691.483549
2026-05-22 04:43:02 prot-na_5900.pdb -265889.868718
2026-05-22 04:43:30 prot-na_6000.pdb -302374.664068
2026-05-22 04:43:58 prot-na_6100.pdb -407930.436446
2026-05-22 04:44:26 prot-na_6200.pdb -271006.093456
2026-05-22 04:44:54 prot-na_6300.pdb -615244.784138
2026-05-22 04:45:22 prot-na_6400.pdb -830300.181975
2026-05-22 04:45:49 prot-na_6500.pdb -566147.275883
2026-05-22 04:46:17 prot-na_6600.pdb -517395.216982
2026-05-22 04:46:45 prot-na_6700.pdb -342272.217307
2026-05-22 04:47:13 prot-na_6800.pdb -882944.168116
2026-05-22 04:47:42 prot-na_6900.pdb -597150.524607
2026-05-22 04:48:09 prot-na_7000.pdb -583543.792584
2026-05-22 04:48:36 prot-na_7100.pdb -347837.962148
2026-05-22 04:49:03 prot-na_7200.pdb -832677.720828
2026-05-22 04:49:30 prot-na_7300.pdb -347312.189863
2026-05-22 04:49:57 prot-na_7400.pdb -580383.450379
2026-05-22 04:50:25 prot-na_7500.pdb -308134.86079
2026-05-22 04:50:53 prot-na_7600.pdb -549034.523077
2026-05-22 04:51:22 prot-na_7700.pdb -35809.0607884
2026-05-22 04:51:51 prot-na_7800.pdb -744344.348334
2026-05-22 04:52:19 prot-na_7900.pdb -631146.609277
2026-05-22 04:52:47 prot-na_8000.pdb -448176.572858
2026-05-22 04:53:16 prot-na_8100.pdb -405197.31306
2026-05-22 04:53:45 prot-na_8200.pdb -537471.101574
2026-05-22 04:54:12 prot-na_8300.pdb -666577.350835
2026-05-22 04:54:39 prot-na_8400.pdb -644710.330857
2026-05-22 04:55:07 prot-na_8500.pdb -619607.129148
2026-05-22 04:55:33 prot-na_8600.pdb -190518.010392
2026-05-22 04:56:00 prot-na_8700.pdb -935969.151563
2026-05-22 04:56:28 prot-na_8800.pdb -840642.171065
2026-05-22 04:56:57 prot-na_8900.pdb -521142.22143
2026-05-22 04:57:26 prot-na_9000.pdb -630233.686663
2026-05-22 04:57:54 prot-na_9100.pdb -773352.912324
2026-05-22 04:58:22 prot-na_9200.pdb -654300.094875
2026-05-22 04:58:50 prot-na_9300.pdb -567337.305217
2026-05-22 04:59:19 prot-na_9400.pdb -416446.835573
2026-05-22 04:59:47 prot-na_9500.pdb -648084.918962
2026-05-22 05:00:16 prot-na_9600.pdb -826910.472953
2026-05-22 05:00:44 prot-na_9700.pdb -835025.718346
2026-05-22 05:01:12 prot-na_9800.pdb -315875.941677
2026-05-22 05:01:40 prot-na_9900.pdb -825591.312476
2026-05-22 05:02:08 prot-na_10000.pdb -521020.922657
2026-05-22 05:02:36 prot-na_10100.pdb -342134.825839
2026-05-22 05:03:04 prot-na_10200.pdb -583563.827788
2026-05-22 05:03:32 prot-na_10300.pdb -620744.440523
2026-05-22 05:04:00 prot-na_10400.pdb -318642.328439
2026-05-22 05:04:28 prot-na_10500.pdb -177531.737974
2026-05-22 05:04:56 prot-na_10600.pdb -586221.783613
2026-05-22 05:05:24 prot-na_10700.pdb -413952.035218
2026-05-22 05:05:52 prot-na_10800.pdb -594529.450248
2026-05-22 05:06:21 prot-na_10900.pdb -400522.035865
2026-05-22 05:06:49 prot-na_11000.pdb -294755.430818
2026-05-22 05:07:16 prot-na_11100.pdb -667842.414575
2026-05-22 05:07:44 prot-na_11200.pdb -354677.572992
2026-05-22 05:08:12 prot-na_11300.pdb -537142.737725
2026-05-22 05:08:40 prot-na_11400.pdb -378253.627828
2026-05-22 05:09:08 prot-na_11500.pdb -556295.679682
2026-05-22 05:09:36 prot-na_11600.pdb -691388.589759
2026-05-22 05:10:04 prot-na_11700.pdb -666991.302297
2026-05-22 05:10:32 prot-na_11800.pdb -500840.788191
2026-05-22 05:11:00 prot-na_11900.pdb -573586.020229
2026-05-22 05:11:28 prot-na_12000.pdb -783962.776862
2026-05-22 05:11:56 prot-na_12100.pdb -662072.07862
2026-05-22 05:12:24 prot-na_12200.pdb -598316.566724
2026-05-22 05:12:52 prot-na_12300.pdb -317140.413118
2026-05-22 05:13:20 prot-na_12400.pdb -531911.906939
2026-05-22 05:13:48 prot-na_12500.pdb -343976.436063
2026-05-22 05:14:16 prot-na_12600.pdb -300696.000159
2026-05-22 05:14:44 prot-na_12700.pdb -846622.736293
2026-05-22 05:15:11 prot-na_12800.pdb -401787.493173
2026-05-22 05:15:38 prot-na_12900.pdb -804473.807021
2026-05-22 05:16:05 prot-na_13000.pdb -608237.864368
2026-05-22 05:16:34 prot-na_13100.pdb -604730.9106
2026-05-22 05:17:03 prot-na_13200.pdb -373489.663046
2026-05-22 05:17:31 prot-na_13300.pdb -442452.909093
2026-05-22 05:17:57 prot-na_13400.pdb -353966.875169
2026-05-22 05:18:23 prot-na_13500.pdb -350151.300931
2026-05-22 05:18:48 prot-na_13600.pdb -585529.179127
2026-05-22 05:19:14 prot-na_13700.pdb -501863.920329
2026-05-22 05:19:39 prot-na_13800.pdb -497829.966448
2026-05-22 05:20:05 prot-na_13900.pdb -502795.738823
2026-05-22 05:20:31 prot-na_14000.pdb -473249.367327
2026-05-22 05:20:57 prot-na_14100.pdb -290638.782745
2026-05-22 05:21:23 prot-na_14200.pdb -649110.359835
2026-05-22 05:21:48 prot-na_14300.pdb -416687.560093
2026-05-22 05:22:14 prot-na_14400.pdb -428312.263743
2026-05-22 05:22:40 prot-na_14500.pdb -353994.969143
2026-05-22 05:23:06 prot-na_14600.pdb -544377.733937
2026-05-22 05:23:32 prot-na_14700.pdb -698259.647935
2026-05-22 05:23:58 prot-na_14800.pdb -455571.184312
2026-05-22 05:24:24 prot-na_14900.pdb -718398.989148
2026-05-22 05:24:50 prot-na_15000.pdb -792807.516355
2026-05-22 05:25:16 prot-na_15100.pdb -489010.34862
2026-05-22 05:25:42 prot-na_15200.pdb -309381.483595
2026-05-22 05:26:08 prot-na_15300.pdb -309826.838143
2026-05-22 05:26:33 prot-na_15400.pdb -828375.431006
2026-05-22 05:26:59 prot-na_15500.pdb -626398.856389
2026-05-22 05:27:25 prot-na_15600.pdb -588679.560605
2026-05-22 05:27:52 prot-na_15700.pdb -360204.304257
2026-05-22 05:28:18 prot-na_15800.pdb -805858.801273
2026-05-22 05:28:43 prot-na_15900.pdb -379879.739275
2026-05-22 05:29:09 prot-na_16000.pdb -447225.730616
2026-05-22 05:29:36 prot-na_16100.pdb -261942.571532
2026-05-22 05:30:02 prot-na_16200.pdb -506320.343276
2026-05-22 05:30:28 prot-na_16300.pdb -401323.775626
2026-05-22 05:30:53 prot-na_16400.pdb -420211.623566
2026-05-22 05:31:19 prot-na_16500.pdb -634506.084262
2026-05-22 05:31:46 prot-na_16600.pdb -267338.862069
2026-05-22 05:32:13 prot-na_16700.pdb -684915.765872
2026-05-22 05:32:39 prot-na_16800.pdb -938897.305078
2026-05-22 05:33:05 prot-na_16900.pdb -233492.400246
2026-05-22 05:33:32 prot-na_17000.pdb -773996.302751
2026-05-22 05:33:58 prot-na_17100.pdb -661641.79327
2026-05-22 05:34:24 prot-na_17200.pdb -292777.54573
2026-05-22 05:34:50 prot-na_17300.pdb -343551.385044
2026-05-22 05:35:16 prot-na_17400.pdb -342804.875921
2026-05-22 05:35:42 prot-na_17500.pdb -360008.641771
2026-05-22 05:36:07 prot-na_17600.pdb -538003.265732
2026-05-22 05:36:33 prot-na_17700.pdb -469188.28071
2026-05-22 05:36:59 prot-na_17800.pdb -388484.812762
2026-05-22 05:37:24 prot-na_17900.pdb -698803.67235
2026-05-22 05:37:50 prot-na_18000.pdb -399060.74826
2026-05-22 05:38:16 prot-na_18100.pdb -549137.556002
2026-05-22 05:38:42 prot-na_18200.pdb -285510.155422
2026-05-22 05:39:08 prot-na_18300.pdb -580437.699043
2026-05-22 05:39:33 prot-na_18400.pdb -493490.786894
2026-05-22 05:39:59 prot-na_18500.pdb -456025.860432
2026-05-22 05:40:25 prot-na_18600.pdb -418691.881273
2026-05-22 05:40:50 prot-na_18700.pdb -398339.100656
2026-05-22 05:41:16 prot-na_18800.pdb -800074.006874
2026-05-22 05:41:43 prot-na_18900.pdb -804763.331289
2026-05-22 05:42:08 prot-na_19000.pdb -777392.806754
2026-05-22 05:42:34 prot-na_19100.pdb -608069.300942
2026-05-22 05:43:00 prot-na_19200.pdb -193018.871479
2026-05-22 05:43:26 prot-na_19300.pdb -564610.853067
2026-05-22 05:43:50 prot-na_19400.pdb -544260.95694
2026-05-22 05:44:16 prot-na_19500.pdb -410606.15846
2026-05-22 05:44:41 prot-na_19600.pdb -447757.592374
2026-05-22 05:45:07 prot-na_19700.pdb -482851.446041
2026-05-22 05:45:33 prot-na_19800.pdb -689440.061785
2026-05-22 05:45:59 prot-na_19900.pdb -653030.362306
2026-05-22 05:46:25 prot-na_20000.pdb -463955.349353
2026-05-22 05:46:25 Varani starts
2026-05-22 05:46:25 prot-na_1000.pdb 464.24
2026-05-22 05:46:55 prot-na_94.pdb 118.662
2026-05-22 05:47:25 prot-na_194.pdb 329.843
2026-05-22 05:47:56 prot-na_294.pdb 158.092
2026-05-22 05:48:26 prot-na_394.pdb 402.76
2026-05-22 05:48:56 prot-na_494.pdb 440.753
2026-05-22 05:49:26 prot-na_594.pdb 450.668
2026-05-22 05:49:57 prot-na_694.pdb 27.121
2026-05-22 05:50:27 prot-na_794.pdb 435.87
2026-05-22 05:50:57 prot-na_894.pdb 379.133
2026-05-22 05:51:27 prot-na_994.pdb 272.008
2026-05-22 05:51:57 prot-na_1100.pdb 95.688
2026-05-22 05:52:28 prot-na_1200.pdb 25.713
2026-05-22 05:52:58 prot-na_1300.pdb 116.297
2026-05-22 05:53:29 prot-na_1400.pdb 255.684
2026-05-22 05:53:59 prot-na_1500.pdb 84.969
2026-05-22 05:54:29 prot-na_1600.pdb -101.096
2026-05-22 05:54:59 prot-na_1700.pdb 323.531
2026-05-22 05:55:29 prot-na_1800.pdb 410.986
2026-05-22 05:55:59 prot-na_1900.pdb 206.272
2026-05-22 05:56:29 prot-na_2000.pdb 200.516
2026-05-22 05:56:59 prot-na_2100.pdb 187.178
2026-05-22 05:57:28 prot-na_2200.pdb 225.776
2026-05-22 05:57:58 prot-na_2300.pdb 111.286
2026-05-22 05:58:28 prot-na_2400.pdb 163.61
2026-05-22 05:58:58 prot-na_2500.pdb 78.163
2026-05-22 05:59:28 prot-na_2600.pdb 495.982
2026-05-22 05:59:57 prot-na_2700.pdb 337.958
2026-05-22 06:00:01 [..]100.pdb 187.178
msg prot-na_2200.pdb 225.776
msg prot-na_2300.pdb 111.286
msg prot-na_2400.pdb 163.61
msg prot-na_2500.pdb 78.163
msg prot-na_2600.pdb 495.982
msg prot-na_2700.pdb 337.958
Traceback (most recent call last):
  File "/home/rpdock/run_gramm//DNP/laczony/QUASI-DNP-QDV_potential_1.0.py", line 542, in <module>
    varani = subprocess.check_output(["/home/rpdock/run_gramm/DNP/laczony/score_complex","-f",plikV+"_var","-m","3_10_1_scores.txt"])
  File "/usr/lib/python2.7/subprocess.py", line 567, in check_output
    process = Popen(stdout=PIPE, *popenargs, **kwargs)
  File "/usr/lib/python2.7/subprocess.py", line 711, in __init__
    errread, errwrite)
  File "/usr/lib/python2.7/subprocess.py", line 1235, in _execute_child
    self.pid = os.fork()
OSError: [Errno 12] Cannot allocate memory
Command exited with non-zero status 1
6060.05user 89.89system 1:43:22elapsed 99%CPU (0avgtext+0avgdata 235916maxresident)k
3235728inputs+2041528outputs (19major+13051543minor)pagefaults 0swaps