The output file is empty

[orex]

The output file is empty

[orex]

Hello Duanmu.

Thank you for using my program. It is always very rewording to hear that "the user experience has been fantastic". As for your problem, please attach all the files you have, that I can repeat the procedure step-by-step. I'm quite confident, that this is a problem with your system, rather than supercell, but I'll double check it. If you don't want to attach all of the files, please attach fixed34.cif. It looks like that this is the most important one.

BTW Which version of supercell you are using. How did you obtained it?

Best,
Kirill.

P.S. You can't attach cif files to the issue directly. Rename them to txt.

[Duanmu37]

Dear Orex, thank you for replying so quickly, I am using supercell v 2.1.0, below is my fixed34.cif file, thank you very much for taking the time to help me solve the problem.
fixed34.txt

[Duanmu37]

By the way, I would like to ask, is it because the number of combinations is too large and the disk space is insufficient? Actually, I only want a few files to be output. Could you give me some advice?Thank you so much！

[orex]

Dear Duanmu.

I've just check last run. -g options stores all energies for all structures. As the number of structures is ~7.0e+10, the file can be around 1Tb large. Do you really need it? if not, remove the option, if yes increase the disk size to a few Tb. Please also check that the filesystem you are using has such large files support. I'm running the calculation now. It should be finished in 1 hour or so. I'll check the result. As for suggestions, please check tutorial "Sampling methods: Ca2Al2SiO7" section, where I described how to do it. Some other section can be also relevant. In general, I suggest to go through all tutorial to become familiar with supercell.

[Duanmu37]

Dear Orex.
Thank you very much for your suggestion, after reading the tutorial carefully, I realized that I made a serious mistake. I turned on the -g option that I didn't need, which took up a lot of disk space, which caused the problem. After verification, “supercell” helped me get the required structure. Thanks again for your software and help. Sincerely, Duanmu

[orex]

Awesome! Good luck with your project. Don't hesitate to contact in case of any question.