question about files that make up work units

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question about files that make up work units

Postby whocrazy » Fri Nov 17, 2017 6:17 am

Hi
I'm not sure if this is the right forum for my query, since I've been folding for several years on and off.
I am curious about the files in my work directory that make up a work unit, particularly the files with extension .XTC, TRR, .EDR and .CPT.
What do they do? Are you able to give me a brief rundown?
Also, When a work unit finishes, a plaintext .gro file is created, but then a few seconds later, is deleted. If I'm quick enough I can get lucky enough and copy the file to another folder for later viewing, not that the various numbers and letters actually mean anything to me, but it's still kind of neat to think that they do mean something to those in the know. Some work units generate a .gro file with a funny comment at the start, such as "Gromacs runs 1 microsecond at Cannonball speeds".
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Re: question about files that make up work units

Postby JimboPalmer » Fri Nov 17, 2017 7:04 am

The GROMACS coders used to (still do?) embed various ridiculous fake acronyms for what GROMACS might stand for.
there was some flak about some of the acronyms and they may have quit, however older cores like a4 may well have them.

I think Giving Russians Opium May Alter Current Situation was the one that got them in trouble.

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Re: question about files that make up work units

Postby Joe_H » Fri Nov 17, 2017 7:52 am

I don't know what most of the other file extensions stand for, but the .cpt files are the checkpoints. And of course the core writes out a .log file of its actions during processing, some entries of which are also entered into the log the client keeps.
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Re: question about files that make up work units

Postby whocrazy » Fri Nov 17, 2017 8:12 am

Lol, I actually found that joke amusing, but I can see why some other people wouldn't.
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