yambo-code / yambo-tests

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Test suite is giving [ OK ] even when no references or wrong references exist #21

Closed sangallidavide closed 3 years ago

sangallidavide commented 3 years ago

Something is not working properly in the test-suite.


vimdiff  15_td_sex/o-15_td_sex.carriers REFERENCE/o-15_td_sex.carriers
gives the output below
![image](https://user-images.githubusercontent.com/22720887/110860426-0b015a80-82bd-11eb-8a9a-58bc10d56739.png)

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* Example 2
I've created a new input in my local version, folder hBN/RT.
Test called `11_td_sex_dbgd_Gless`
No REFERENCE file created and this is the output

[serial] 11_td_sex_dbgd: NEGF 4.1s o-11_td_sex_dbgd.carriers [ OK ] o-11_td_sex_dbgd.current [ OK ] o-11_td_sex_dbgd.energy [ WHITELISTED ] o-11_td_sex_dbgd.external_field [ OK ] o-11_td_sex_dbgd.polarization [ OK ] o-11_td_sex_dbgd.thermodynamics [ WHITELISTED ] [serial] 11_td_sex_dbgd_Gless: NEGF 12.0s o-11_td_sex_dbgd_Gless.carriers [ OK ] o-11_td_sex_dbgd_Gless.current [ OK ] o-11_td_sex_dbgd_Gless.external_field [ OK ] o-11_td_sex_dbgd_Gless.polarization [ OK ]

while

ls TESTS/MAIN/hBN/RT/REFERENCE/11_td_sex_dbgd_Gless ls: cannot access 'TESTS/MAIN/hBN/RT/REFERENCE/11_td_sex_dbgd_Gless': No such file or directory

sangallidavide commented 3 years ago

Even if I kill yambo_rt simulations of the test-suite while they are running test-suite gives [OK] to final output

sangallidavide commented 3 years ago

Source of this issue is the following coding in find_the_diff script

 !
 N_data_to_check=min(ref%N,out%N)
 !
 call eval_the_moments(ref,N_data_to_check)
 call eval_the_moments(out,N_data_to_check)

without any check on the difference (ref%N-out%N)

sangallidavide commented 3 years ago

Fixed with commit d0df8c6