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Error running GenericMonteCarlo mover within MultipleOutputWrapper mover

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Error running GenericMonteCarlo mover within MultipleOutputWrapper mover
#1

Hello Rosetta Users,

I have been trying to write and test some design protocols using rosetta_scripts. While testing a script, I have come across the following error:

protocols.rosetta_scripts.ParsedProtocol: added mover "net_charge_pep" with filter "true_filter"
protocols.rosetta_scripts.ParsedProtocol: added mover "set_up_foldtree" with filter "true_filter"
protocols.rosetta_scripts.ParsedProtocol: added mover "loop_GMC" with filter "true_filter"
protocols.rosetta_scripts.ParsedProtocol: added mover "clear_netch" with filter "true_filter"
protocols.rosetta_scripts.ParsedProtocol: added mover "collect_design" with filter "true_filter"
protocols.rosetta_scripts.ParsedProtocol: added mover "pose_filter" with filter "true_filter"
protocols::checkpoint: Deleting checkpoints of FastRelax
protocols::checkpoint: Deleting checkpoints of FastRelax
protocols.jd2.PDBJobInputter: PDBJobInputter::pose_from_job
protocols.jd2.PDBJobInputter: filling pose from saved copy Top_ectd_0016_hsep3EP1__final_0059.2_0001.pdb
protocols.rosetta_scripts.ParsedProtocol: =======================BEGIN MOVER AddNetChargeConstraintMover - net_charge_pep=======================
protocols.rosetta_scripts.ParsedProtocol: =======================BEGIN MOVER AtomTree - set_up_foldtree=======================
protocols.protein_interface_design.movers.SetAtomTree: Applying fold_tree: FOLD_TREE  EDGE 134 1 -1  EDGE 134 180 -1  EDGE 134 192 1  EDGE 192 181 -1  EDGE 192 202 -1 
protocols.rosetta_scripts.ParsedProtocol: =======================BEGIN MOVER MultipleOutputWrapper - loop_GMC=======================
protocols.simple_moves.GenericMonteCarloMover: [ ERROR ] mover not found in map: 
<GenericMonteCarlo drift="1" mover_name="design1_parse" name="peploop_des_protocol" preapply="false" recover_low="1" sample_type="low" scorefxn_name="ref2015_netch_cons" temperature="0.8" trials="1000"/>


ERROR: Assertion `find_mover != movers.end()` failed.
ERROR:: Exit from: src/protocols/simple_moves/GenericMonteCarloMover.cc line: 976
BACKTRACE:
/home/bp-lab/install-fold/rosetta_bin_linux_2018.09.60072_bundle/main/source/build/src/release/linux/4.4/64/x86/gcc/5.4/default/libutility.so(utility::exit(char const*, int, std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, int)+0x2ea) [0x7fe1e64398ea]
/home/bp-lab/install-fold/rosetta_bin_linux_2018.09.60072_bundle/main/source/build/src/release/linux/4.4/64/x86/gcc/5.4/default/libprotocols.3.so(protocols::simple_moves::GenericMonteCarloMover::parse_my_tag(std::shared_ptr<utility::tag::Tag const>, basic::datacache::DataMap&, std::map<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >, std::shared_ptr<protocols::filters::Filter>, std::less<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > >, std::allocator<std::pair<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const, std::shared_ptr<protocols::filters::Filter> > > > const&, std::map<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const, std::shared_ptr<protocols::moves::Mover>, std::less<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const>, std::allocator<std::pair<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const, std::shared_ptr<protocols::moves::Mover> > > > const&, core::pose::Pose const&)+0x3343) [0x7fe1e35c2be3]
/home/bp-lab/install-fold/rosetta_bin_linux_2018.09.60072_bundle/main/source/build/src/release/linux/4.4/64/x86/gcc/5.4/default/libprotocols.1.so(protocols::moves::MoverFactory::newMover(std::shared_ptr<utility::tag::Tag const>, basic::datacache::DataMap&, std::map<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >, std::shared_ptr<protocols::filters::Filter>, std::less<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > >, std::allocator<std::pair<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const, std::shared_ptr<protocols::filters::Filter> > > > const&, std::map<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const, std::shared_ptr<protocols::moves::Mover>, std::less<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const>, std::allocator<std::pair<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const, std::shared_ptr<protocols::moves::Mover> > > > const&, core::pose::Pose const&) const+0x8b) [0x7fe1e722d7db]
/home/bp-lab/install-fold/rosetta_bin_linux_2018.09.60072_bundle/main/source/build/src/release/linux/4.4/64/x86/gcc/5.4/default/libprotocols.1.so(protocols::rosetta_scripts::MultipleOutputWrapper::generate_pose(core::pose::Pose&)+0x1c42) [0x7fe1e7621322]
/home/bp-lab/install-fold/rosetta_bin_linux_2018.09.60072_bundle/main/source/build/src/release/linux/4.4/64/x86/gcc/5.4/default/libprotocols.1.so(protocols::rosetta_scripts::ParsedProtocol::apply_mover(core::pose::Pose&, protocols::rosetta_scripts::ParsedProtocol::MoverFilterPair const&)+0x2ec) [0x7fe1e7648ebc]
/home/bp-lab/install-fold/rosetta_bin_linux_2018.09.60072_bundle/main/source/build/src/release/linux/4.4/64/x86/gcc/5.4/default/libprotocols.1.so(protocols::rosetta_scripts::ParsedProtocol::sequence_protocol(core::pose::Pose&, __gnu_cxx::__normal_iterator<protocols::rosetta_scripts::ParsedProtocol::MoverFilterPair const*, std::vector<protocols::rosetta_scripts::ParsedProtocol::MoverFilterPair, std::allocator<protocols::rosetta_scripts::ParsedProtocol::MoverFilterPair> > >)+0x3b) [0x7fe1e764a34b]
/home/bp-lab/install-fold/rosetta_bin_linux_2018.09.60072_bundle/main/source/build/src/release/linux/4.4/64/x86/gcc/5.4/default/libprotocols.1.so(protocols::rosetta_scripts::ParsedProtocol::apply(core::pose::Pose&)+0x1b0) [0x7fe1e764ac00]
/home/bp-lab/install-fold/rosetta_bin_linux_2018.09.60072_bundle/main/source/build/src/release/linux/4.4/64/x86/gcc/5.4/default/libprotocols.1.so(protocols::jd2::JobDistributor::run_one_job(std::shared_ptr<protocols::moves::Mover>&, long, std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >&, std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >&, unsigned long&, unsigned long&, bool)+0xbed) [0x7fe1e773f9ad]
/home/bp-lab/install-fold/rosetta_bin_linux_2018.09.60072_bundle/main/source/build/src/release/linux/4.4/64/x86/gcc/5.4/default/libprotocols.1.so(protocols::jd2::JobDistributor::go_main(std::shared_ptr<protocols::moves::Mover>)+0x166) [0x7fe1e7741db6]
/home/bp-lab/install-fold/rosetta_bin_linux_2018.09.60072_bundle/main/source/build/src/release/linux/4.4/64/x86/gcc/5.4/default/libprotocols.1.so(protocols::jd2::FileSystemJobDistributor::go(std::shared_ptr<protocols::moves::Mover>)+0x57) [0x7fe1e7727d57]
rosetta_scripts.default.linuxgccrelease() [0x402159]
/lib/x86_64-linux-gnu/libc.so.6(__libc_start_main+0xf0) [0x7fe1e5873830]
rosetta_scripts.default.linuxgccrelease() [0x402449]
protocols.rosetta_scripts.ParsedProtocol: [ ERROR ] Exception while processing procotol: 

File: src/protocols/simple_moves/GenericMonteCarloMover.cc:976
[ ERROR ] UtilityExitException
ERROR: Assertion `find_mover != movers.end()` failed.


protocols.jd2.JobDistributor: [ ERROR ] 

[ERROR] Exception caught by JobDistributor for job SA_Top_ectd_0016_hsep3EP1__final_0059.2_0001_0001

File: src/protocols/simple_moves/GenericMonteCarloMover.cc:976
[ ERROR ] UtilityExitException
ERROR: Assertion `find_mover != movers.end()` failed.


protocols.jd2.JobDistributor: [ ERROR ] 
protocols.jd2.JobDistributor: [ WARNING ] SA_Top_ectd_0016_hsep3EP1__final_0059.2_0001_0001 reported failure and will NOT retry
protocols.jd2.JobDistributor: no more batches to process... 
protocols.jd2.JobDistributor: 1 jobs considered, 1 jobs attempted in 7 seconds
protocols.jd2.JobDistributor: [ WARNING ] The following options have been set, but have not yet been used:
	-holes:dalphaball 

protocols.toolbox.task_operations.RestrictIdentitiesOperation: Preventing from repacking residues of type(s): PRO Restricting to repacking residues of type(s): PRO 
protocols.toolbox.task_operations.RestrictIdentitiesOperation: [ WARNING ] Message(s) above was printed in the end instead of proper place because this Tracer object has some contents left in inner buffer when destructor was called. Explicitly call Tracer::flush() or end your IO with std::endl to disable this warning.

Looking at this, it seems that the GMC mover needs to be defined outside the MultipleOutputWrapper tag, as the erros says "mover not found in map". However, the documentation doesn't point towards any such requirement.  There are other warnings too. I am using rosetta version 2018.09. Maybe I have made a minor mistake or some changes have happened, not reflected in the documentation; i am not sure.  Please suggest a solution to this. The xml file is attached herein.

AttachmentSize
test_script1.txt11.33 KB
Category: 
Post Situation: 
Mon, 2018-04-16 04:58
abhi_pe_acharya

Hello again.

I have rectified the problem. The solution was to execute the mover using the full ROSETTASCRIPTS tag within the MultipleOutputWrapper.  Just including the mover tag within the MOM mover does not work. The online documentation on MOM mover seems outdated which is understandable considering that changes in Rosetta occur on a weekly basis.

Lesson learnt: If in doubt, follow the updated documentation the comes  packaged with the rosetta release you install.

Cheers. :)

 

Thu, 2018-04-19 03:49
abhi_pe_acharya