[gmx-users] Re: empty .edr files
magiofer at gmail.com
Mon Sep 26 10:16:04 CEST 2005
On 9/26/05, Dallas B. Warren <Dallas.Warren at vcp.monash.edu.au> wrote:
> > this has happened to me too, everything seemed to be ok, but
> > the .edr file was empty. After many runs which I interrupted
> > because of the leck of the energies, I decided to let it go
> > thruogh till the end of the simulation: the .edr file was
> > written, don't ask me why, because I run every simulation
> > with the same .mdp file and this perfectly worked for any
> > other system but that one! So try and let the simulation
> > reach the end, you may be as lucky as I was.
> In that case it is due to the computer itself that it is being run on. To
> avoid heavy writing to the hard disks, it will wait until the amount of
> information reaches a certain size, until then holding it in memory, then
> dumps it to the disk. Seems like the edr file is smaller than what ever that
> size limit is for your operating system build.
that is strange, I also thought the same thing at first, then I've tried and
ran my simulation on a different machine but the result was the same!
> Dr. Dallas Warren
> Department of Pharmaceutical Biology and Pharmacology
> Victorian College of Pharmacy, Monash University
> 381 Royal Parade, Parkville VIC 3010
> dallas.warren at vcp.monash.edu.au
> +61 3 9903 9073
> When the only tool you own is a hammer, every problem begins to resemble a
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