SAVE-CYCLE not working in TINKER9

[jacekkozuch]

Hi,

I just noticed that the keyword SAVE-CYCLE is not working in TINKER9. Whatever I do, the _.arc file is written instead of the _.001 and/or _.001u etc files (the latter for uinds) that are written in TINKER8. Running the same MD simulation in Tinker8 (8.10.5; separate build from Tinker9) 'SAVE-CYCLE' works. So, it may have to do something with the CPU-version included within Tinker9 or somewhere the keyword is not properly 'communicated'.

Based on a brief discussion with Zhi (https://github.com/TinkerTools/tinker9/discussions/241), I did some further tests and looked in to the code. Here's what I found (although I'm not sure how meaningful this is):

• SAVE-INDUCED works, meaning the mdinit.f seems to communicate well with the cpp code
• SAVE-CYCLE doesn't work for me
• DCD-ARCHIVE doesn't work for me either
• maybe that could be part of a solution: looking through 'rwcrd.cpp', I find an instance of 'else if (output::arcsave)' in line 518, but nothing about 'cyclesave' anywhere I've looked. Would the addition of a 'cyclesave' case solve this issue?

Thanks for looking into it!

Best, Jacek