A while back I started a 62 million screen. It all went smooth until I reach around 40 million successful dockings. Then all my jobs stopped (and I did not changing anything). Resubmitting or creating new jobs doesn’t work either.
Looking the logfiles I see the following error:
The ligand-collections/todo/todo.all (if existent) did not meet the requirements for continuation (trial 1).
prepare-todolists.sh: line 479: [: DBCCC: integer expression expected
prepare-todolists.sh: line 483: [: DBCCC: integer expression expected
Warning: Could not get the length of collection DBCCC. Found value is: DBCCC. Exiting.
Error was trapped
Error in bash script /var/opt/sge/node-d00a-124/job_scripts/1230089
Error on line 279
The todo.all located in:
…/workflow/ligand-collections/todo
has only one line:
$ more todo.all
1: DBCCC
The todo.all located in …/tools/templates is very different though and contains all the collections.
Any idea what the problem is and how I can fix it?
The problem was simply solved by deleting DBCCC from:
…/workflow/ligand-collections/todo/todo.all
Once the file was empty I was able to resubmit jobs and the screen continued.
I have no idea why this happened in the first place though.
NB! Let me emphasis that I removed one line only. The todo.all in this location only contained DBCCC. The todo.all located in …/tools/templates contains the entire collection.
This happened again and this time I was not able to fix the problem as I did above.
Job submission or re-submissions all fails with the following error:
prepare-todolists.sh: line 479: [: EBCDEE_00083: integer expression expected
prepare-todolists.sh: line 483: [: EBCDEE_00083: integer expression expected
* Warning: Could not get the length of collection EBCDEE_00083. Found value is: EBCDEE_00083. Exiting.
Error was trapped
Error in bash script /var/opt/sge/node-h00a-044/job_scripts/1096037
Error on line 279
I have multiple todo.all files in …/workflow/ligand-collections/todo:
