MSDMover error in RECON protocol

[Anonymous]

Hi Everyone,

I’m sorry to open a new topic about the RECON multi-state design. I got the same error when I run Rosetta when I used mpi (I tried two Rosetta versions 2016.08 and 2018.09). In the error message, it said I need to pass the -run:msd_job_dist flag to make it work (I did and it still didn’t work).  Here is the error I got:

protocols.jd2.PDBJobInputter: (3) PDBJobInputter::pose_from_job

protocols.jd2.PDBJobInputter: (3) filling pose from saved copy 4HKX_relax.pdb

protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER MSDMover – msd1=======================

protocols.rosetta_scripts.ParsedProtocol: (3) [ ERROR ] Exception while processing procotol: 

File: src/protocols/simple_moves/MSDMover.cc:130

Error: no poses initialized. If you run MSDMover from RosettaScripts you need to pass the -run:msd_job_dist flag

protocols.jd2.JobDistributor: (3) [ ERROR ] 

[ERROR] Exception caught by JobDistributor for job 4HKX_relax_test_0003

I attach the flags file .options, Rosetta script .xml and the output test.txt here. Your help would be greatly appreciated.

Best,

Yifei

[Anonymous]

I know that there’s been recent updates/improvements  specifically with running RECON through MPI. This is availible with the most recent weekly release (2019.12) You might want to try using this version, and see if that helps.

See the test at main/tests/integration/tests/recon_design_mpi for a cut-down example  of how it’s being used now. (To run MPI, it’s a separate application, rather than being run through the rosetta_scripts application.)

[Anonymous]

Hi Rmoretti,

Thank you so much! I installed the up-to-date 2019.14 version and the RECON mpi finally worked.

Best,

Yifei

[Author]

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