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TypeError when generating output dataframes with flexddg protocol #68

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Dong-HoSeo opened this issue Jun 26, 2024 · 1 comment
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@Dong-HoSeo
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Command Executed:
python -m RosettaDDGPrediction.rosetta_ddg_aggregate -cr flexddg_ref2015 -cs nompi -ca aggregate -d output/DgAS_monomer/ -od output/DgAS_monomer/result/ -mf output/DgAS_monomer/flexddg/mutinfo.txt

Error Message:
2024-06-26 16:47:58,036 - distributed.worker - WARNING - Compute Failed
Key: generate_output_dataframes-bb7e14a4282e59ca5e20efb69632d977
State: executing
Function: generate_output_dataframes
args: ()
kwargs: {'dg_wt': fa_atr fa_rep fa_sol fa_intra_rep fa_intra_sol_xover4 lk_ball_wtd ... ref rama_prepro total_score state score_function_name struct_num
0 -52.769934 4.506764 20.691529 1.509903e-13 1.080025e-12 -3.077716 ... 0.0 0.0 -45.082926 wt ref2015 1
1 -55.176655 5.163936 24.495394 -3.907985e-14 5.684342e-14 -2.906971 ... 0.0 0.0 -44.124179 wt ref2015 2
2 -55.099381 5.387621 21.554750 9.769963e-14 7.389644e-13 -2.005782 ... 0.0 0.0 -48.139408 wt ref2015 3
3 -52.569673 4.995009 19.945539 -1.048051e-13 -7.389644e-13 -2.010206 ... 0.0 0.0 -47.292516 wt ref2015 4
4 -50.368589 5.164325 18.105159 -6.039613e-14 6.252776e-13 -2.173525 ... 0.0 0.0 -44.928916 wt ref2015 5
5 -48.781233 4.872124 18.652374 -
Exception: "TypeError('agg function failed [how->mean,dtype->object]')"

ERROR:root:Could not generate output dataframes: agg function failed [how->mean,dtype->object]
Could not generate output dataframes: agg function failed [how->mean,dtype->object]
2024-06-26 16:47:58,042 - distributed.scheduler - WARNING - Removing worker 'tcp://127.0.0.1:37093' caused the cluster to lose already computed task(s), which will be recomputed elsewhere: {'parse_output_flexddg-ffb6af621c9d292a4ba751d330ee39f4'} (stimulus_id='handle-worker-cleanup-1719388078.0421832')

@elenapapaleo
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sorry for the late reply, the former maintainer is no longer available and we are trying to find our way back with addressing the issues and maintaining the code. Is this still a problem or did you find a solution in meantime?

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