The structure after relaxation cannot satisfy distance constraint

[Егор Бескопыльный]

On running EX02 with gulp i get errors in most of the structures:

Structure1 step1 at CalcFold1

The structure after relaxation cannot satisfy distance constraint, please see the Warning ...

Structure3 step1 at CalcFold1

The structure after relaxation cannot satisfy distance constraint, please see the Warning ...

Structure4 step1 at CalcFold1

The structure after relaxation cannot satisfy distance constraint, please see the Warning ...

etc.

But in some the relaxation end successfully: 

Structure2 step1 at CalcFold1

Structure2 step2 at CalcFold1

Structure2 step3 at CalcFold1

Structure2 step4 at CalcFold1

Relaxation is done.

Structure22 step1 at CalcFold1

Structure22 step2 at CalcFold1

Structure22 step3 at CalcFold1

Structure22 step4 at CalcFold1

Relaxation is done.

Hope for your help,

Yegor

[Zhang Yaotang]

Actually, I ran into the same problem.

This seems to be a problem of probability, but after I switched to gulp4.5, the situation improved a lot. 

You can check your [output] file in the fold [CalcFold1], that's the output data of gulp.

If the warning comes out, it usually because the warning 

------

*****too many failure failed attempts to optimise*****

-----

also comes out.

 

If the output file shows 

-----

**** Optimisation achieved ****

-----

everything will be fine.

 

I think it's because the parameter setting of gulp is not so good, if you can change some of the parameters in the fold [Specific], you can solve the problem.

Since I am a beginner fo gulp, I don't know how to fix it, if anyone knows, please tell me.

 

Regards

Zhang Yaotang

[demid...@gmail.com]

The problem is that the latest versions of gulp use more decimal places in their output. That is why USPEX reads optimized structures incorrectly.

Adding a line

dump every old optimized.structure

to each of ginput_<number> files restores the old format and fixes the problem.

Tested on USPEX-10.4 and gulp-5.2.

Regards,

Demidov Daniil

вторник, 4 августа 2020 г. в 10:54:59 UTC+2, Zhang Yaotang: