haddocking / haddock3

Official repo of the modular BioExcel version of HADDOCK
https://www.bonvinlab.org/haddock3
Apache License 2.0
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Parameter `debug` is incompatible with `mode=batch` #1070

Closed paoloc03 closed 1 month ago

paoloc03 commented 1 month ago

Question

Hi! I'm trying to use haddock3 in batch mode but it keeps returning this error:

Parameter debug is incompatible with mode=batch

When I run it in local mode it runs without any problems. Can you help me?

Code snippet

Additional context

I'm using the config files provided in the examples and in the tutorial but the problem persist.

amjjbonvin commented 1 month ago

set: debug = true in your configuration file.

paoloc03 commented 1 month ago

Thank you for your quick answer! I tried to add to my .cfg file 'debug = true' but it doesn't seem to work. Here below the general settings of my cfg file:

# directory name of the run
run_dir = "run1"
# compute mode
mode = "batch"
# batch system
batch_type = "slurm"
# queue name
queue = "short"
# number of concurrent jobs to submit to the batch system
queue_limit = 100
# number of models to produce per submitted job
concat = 10

# Self contained rundir
self_contained = true

# Post-processing to generate statistics and plots
postprocess = true

# Cleaning
clean = true

#debug 
debug = true

# While here below I attach the error log:
!! Some of the HADDOCK3 components use CNS (Crystallographic and NMR System) which is free of use for non-profit applications. !!
!! For commercial use it is your own responsibility to have a proper license. !!
!! For details refer to the DISCLAIMER file in the HADDOCK3 repository. !!

Starting HADDOCK 3.0.0 on 2024-10-01 06:25:00

Python 3.9.12 (main, Apr  5 2022, 06:56:58)
[GCC 7.5.0]

[2024-10-01 06:25:24,479 libutil ERROR] Parameter `debug` is incompatible with `mode=batch`.
Traceback (most recent call last):
  File "/home/pc674299/.local/lib/python3.9/site-packages/haddock/libs/libutil.py", line 335, in log_error_and_exit
    yield
  File "/home/pc674299/.local/lib/python3.9/site-packages/haddock/clis/cli.py", line 150, in main
    params, other_params = setup_run(
  File "/home/pc674299/.local/lib/python3.9/site-packages/haddock/gear/prepare_run.py", line 281, in setup_run
    validate_parameters_are_not_incompatible(general_params)
  File "/home/pc674299/.local/lib/python3.9/site-packages/haddock/gear/prepare_run.py", line 1083, in validate_parameters_are_not_incompatible
    raise ValueError(
ValueError: Parameter `debug` is incompatible with `mode=batch`.
[2024-10-01 06:25:24,481 libutil ERROR] Parameter `debug` is incompatible with `mode=batch`.
[2024-10-01 06:25:24,481 libutil ERROR] An error has occurred, see log file. And contact the developers if needed.
[2024-10-01 06:25:24,481 libutil INFO] Finished at 01/10/2024 06:25:24. For any help contact us at https://github.com/haddocking/haddock3/issues. Adiós! Agur! La revedere!!
amjjbonvin commented 1 month ago

Make sure to have the most recent version as the code is still evolving fast.

If it still does not work, then we have an issue to fix.

paoloc03 commented 1 month ago

I downloaded the code today at 11:30 CET from the github page, so it should be updated. Thank you for all your help anyways!

rvhonorato commented 1 month ago

The solution for this is held by #991

amjjbonvin commented 1 month ago

Please update the haddock3 version - should be working now (you still need to set debug=true though )

paoloc03 commented 1 month ago

I updated the haddock3 version but the error seems to remain, even though now is slightly different:

ValueError: Parameter debug with value True is incompatible with mode=batch

amjjbonvin commented 1 month ago

Ok - should now be fixed!

Do update the code first.

paoloc03 commented 1 month ago

It works! Thank you so much!