fix ‘post_fp_cp2k’, add param rfailed

[HuangJiameng]

1. ratio_failed was not applied in post_fp_cp2k.
2. When a cp2k task fails, it returns an empty "output" file. Since dpdispatcher only checks whether the output file exists or not, it marks the task finished and sends back the empty file. An empty or not converged output file leads to errors in the following step. Commenting out check_type_map is a temporary solution, which can run the next step by ignoring empty output files. To solve this problem fundamentally, dpdispatcher should probably be modified as well.

• add ratio_failed param to cp2k in 02.fp step
• fix a bug in post_fp_cp2k

[codecov-commenter]

Codecov Report

Merging #765 (cb2e022) into devel (f66c2a7) will increase coverage by 0.89%.
The diff coverage is 0.00%.

@@            Coverage Diff             @@
##            devel     #765      +/-   ##
==========================================
+ Coverage   33.91%   34.80%   +0.89%     
==========================================
  Files          93       96       +3     
  Lines       16562    16638      +76     
==========================================
+ Hits         5617     5791     +174     
+ Misses      10945    10847      -98     

Impacted Files	Coverage Δ
dpgen/generator/run.py	63.69% <0.00%> (+1.40%)	⬆️
dpgen/remote/decide_machine.py	92.00% <0.00%> (-8.00%)	⬇️
dpgen/dispatcher/Dispatcher.py	31.64% <0.00%> (-0.35%)	⬇️
dpgen/auto_test/EOS.py	64.58% <0.00%> (-0.13%)	⬇️
dpgen/main.py	0.00% <0.00%> (ø)
dpgen/data/reaction.py	0.00% <0.00%> (ø)
dpgen/generator/arginfo.py	0.00% <0.00%> (ø)
dpgen/simplify/simplify.py	0.00% <0.00%> (ø)
dpgen/simplify/arginfo.py	0.00% <0.00%> (ø)
dpgen/data/arginfo.py	0.00% <0.00%> (ø)
... and 5 more

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[wanghan-iapcm]

Could you explain why the check_type_map is commented out?

[HuangJiameng]

Thanks for your comment, I have edited my comment.

[wanghan-iapcm]

2. When a cp2k task fails, it returns an empty "output" file. Since dpdispatcher only checks whether the output file exists or not, it marks the task finished and sends back the empty file. An empty or not converged output file leads to errors in the following step. Commenting out check_type_map is a temporary solution, which can run the next step by ignoring empty output files. To solve this problem fundamentally, dpdispatcher should probably be modified as well.

@njzjz @felix5572 FYI

[njzjz]

2. When a cp2k task fails, it returns an empty "output" file. Since dpdispatcher only checks whether the output file exists or not, it marks the task finished and sends back the empty file. An empty or not converged output file leads to errors in the following step. Commenting out check_type_map is a temporary solution, which can run the next step by ignoring empty output files. To solve this problem fundamentally, dpdispatcher should probably be modified as well.

@njzjz @felix5572 FYI

This is not the expected behavior. dpdispatcher should check the return code unless cp2k always returns 0.