==================================== Glide Script ==================================== -------------------------------------------------------------------------------- JobId : bambam-0-5f3ffce0 Name : dock-1lzs-A-nowater-XP Program : Glide Host : bambam.cchem.berkeley.edu Dir : /home/kathy/tests/maestro/glide-2020-2/dock-1lzs-A-nowater-XP HostEntry : localhost JobHost : bambam.cchem.berkeley.edu JobDir : /scr/kathy/dock-1lzs-A-nowater-XP JobSchrodinger : /home/mgcf/software-ws/schrodinger2020-2 Commandline : /home/mgcf/software-ws/schrodinger2020-2/glide dock-1lzs-A-nowater-XP.in -OVERWRITE -adjust -HOST localhost:1 -PROJ /home/kathy/tests/maestro/glide-2020-2/lysozyme.prj -DISP append -VIEWNAME glide_docking_gui.DockingPanel -TMPLAUNCHDIR StartTime : 2020-08-21-09:57:05 -------------------------------------------------------------------------------- Running locally: False Max retries: 2 Input file: dock-1lzs-A-nowater-XP.in Setting up docking job Separating ligands... Number of structures that are to be docked: 3 Setting up Glide docking jobs... Running subjobs on hosts: localhost (Max: 1) Number of jobs: 2 Max retries per job: 30 Max allowed failures: unlimited Run with -LOCAL: False Verbosity: normal Starting JobDJ... Keep one job on driver host: False JobDJ columns: C: Number of completed subjobs A: Number of active subjobs (e.g., submitted, running) W: Number of waiting/pending subjobs C A W | Activity JobId JobName JobHost - - - | --------- ----------------------- 0 1 1 | launched bambam-0-5f3ffce7 dock-1lzs-A-nowater-XP-0001 localhost [bambam] 1 0 1 | finished bambam-0-5f3ffce7 dock-1lzs-A-nowater-XP-0001 localhost [bambam] 1 1 0 | launched bambam-0-5f4004c2 dock-1lzs-A-nowater-XP-0002 localhost [bambam] 2 0 0 | finished bambam-0-5f4004c2 dock-1lzs-A-nowater-XP-0002 localhost [bambam] All jobs have completed. 2 of 2 job(s) succeeded; 0 job(s) failed. All jobs succeeded: 3 ligands done. Writing poses to dock-1lzs-A-nowater-XP_pv.maegz Combining log files to dock-1lzs-A-nowater-XP_subjobs.log Archiving subjob pose files in dock-1lzs-A-nowater-XP_subjob_poses.zip Archiving subjob input and log files in dock-1lzs-A-nowater-XP_subjobs.tar.gz Cleaning up... Elapsed times: - preprocessing: 0.3 s - running subjobs: 2916.2 s - postprocessing: 0.2 s - cleanup: 0.0 s All Glide docking subjobs: Total CPU time = 2887 seconds (48 min 7 s) Finished at: Fri Aug 21 10:45:44 2020 Total elapsed time for Glide script = 2916 seconds (48 min 36 s) [running at reduced cpu priority]