I don't know if this is a known issue or not, but when I run score_jd2 with a -in:list:l I get increasing memory consumption, which passes 1.4g (RES column untop `top`) within a minute. Using score with same flags has constant memory usage. I did this check because a JD2 app I'm developing also showed increasingly high memory usage, so I suspect it's a JD2 issue (?)
Command line is:
-in:file:l test-score.pdblist \
-in:path pdb-clean > score-test.out 2> score-test.err
Tried weekly 2014.22 and weekly 2014.35. Both compiled and run on debian-flavor linux with scons, gcc4.7, x86_64, 8g RAM.
I can attach some log files.
Attached is the test-score.pdblist file (with a txt extension so I can upload; the PDBs themselves were stripped of all non-ATOM records, hence the -in:path pdb-clean; will check what happens with the raw PDBs).
Can anyone confirm this is an issue?
Is this an app issue or usage issue? Would appreciate any help!
Apparently this stems from a feature which saves old poses so that they may be later reloaded. It is avoidable via the -jd2:delete_old_poses flag. Muy importante.