Hello all,
I have followed the tutorials provided by VirtualFlow and it is an amazing tutorial! However, I have encountered an error as follows (snippet of the logfiles):
srun: error: dave23: task 0: Exited with exit code 1
srun: Terminating StepId=59742098.0
- let exit_code=1
- ‘[’ 1 == 1 ‘]’
- error_response_std 315
- echo ‘Error was trapped’
Error was trapped - echo ‘Error in bash script /jobfs/local/slurm/job59742098/slurm_script’
Error in bash script /jobfs/local/slurm/job59742098/slurm_script - echo ‘Error on line 315’
Error on line 315 - echo ‘Environment variables’
Environment variables - echo ----------------------------------
- env
I have also found this problem:
- echo ‘The ligand-collections/todo/todo.all (if existent) did not meet the requirements for continuation (trial 1).’
The ligand-collections/todo/todo.all (if existent) did not meet the requirements for continuation (trial 1).
Upon checking the error on line 315, I am quite puzzled:
These are the files:
all.ctrl
steps_per_job=1
cpus_per_step=1
queues_per_step=1
cpus_per_queue=1
central_todo_list_splitting_size=10000
ligands_todo_per_queue=1000
ligands_per_refilling_step=1000
verbosity_logfiles=debug
store_queue_log_files=all_uncompressed
ligand_check_interval=10
collections/todo.all
CFDEBE_00000 48
CFDEFE_00000 1
CFDECE_00000 22
CFDEDE_00000 2
CFDDEE_00000 183
CFDDED_00000 22
CFDDFE_00000 18
CFDDFD_00000 9
CFDDCE_00000 649
CFDDCD_00000 107
CFDDDE_00000 366
CFDDDD_00000 186
CFDDBE_00000 990
CFDDBD_00000 91
CFCEAE_00000 18
CFCEDE_00000 35
CFCEDD_00000 48
CFCEED_00000 5
CFCEBE_00000 827
CFCEBD_00000 102
CFCECD_00000 52
CFCECE_00000 289
CFCEFD_00000 12
CFCDBD_00001 1935
CFCDBD_00002 1752
CFCDBD_00003 1500
CFCDBD_00004 1415
CFCDBD_00005 1451
CFCDBD_00006 1792
CFCDBD_00000 2147
CFCDBE_00007 1773
CFCDBE_00008 2620
CFCDBE_00009 374
CFCDBE_00004 1659
CFCDBE_00005 2118
CFCDBE_00006 2149
CFCDBE_00001 1957
CFCDBE_00000 2141
CFCDBE_00002 1713
CFCDBE_00003 2197
CFCDCE_00000 1780
CFCDCE_00001 1828
CFCDCE_00002 1924
CFCDCE_00003 1765
CFCDCE_00004 1748
CFCDCE_00005 1267
CFCDCE_00006 2040
CFCDCE_00007 1523
CFCDCE_00008 1593
CFCDCE_00009 2016
CFCDCE_00010 2335
CFCDCE_00011 347
CFCDCD_00000 1393
CFCDCD_00001 1301
CFCDCD_00002 1384
CFCDCD_00011 1291
CFCDCD_00013 1328
CFCDCD_00012 1288
CFCDCD_00014 1436
CFCDCD_00015 1608
CFCDCD_00016 471
CFCDCD_00003 1510
CFCDCD_00004 1311
CFCDCD_00005 1474
CFCDCD_00006 1658
CFCDCD_00007 1383
CFCDCD_00008 1315
CFCDCD_00009 1467
CFCDCD_00010 1539
CFCDAE_00000 27
CFCDAD_00000 31
CFCDFD_00000 229
CFCDFE_00000 116
CFCDDD_00003 1277
CFCDDD_00004 1215
CFCDDD_00005 1109
CFCDDD_00006 1146
CFCDDD_00007 1455
CFCDDD_00008 1184
CFCDDD_00009 1194
CFCDDD_00010 1322
CFCDDD_00011 44
CFCDDD_00000 1310
CFCDDD_00001 1263
CFCDDD_00002 1268
CFCDDE_00000 1550
CFCDDE_00001 1253
CFCDDE_00002 1618
CFCDDE_00003 470
CFCDEE_00000 1105
CFCDED_00000 1256
CFCDED_00001 1149
CFCDED_00002 1035