Hi, Hugo
Yes, this is a bug for the selection algorithm, some other users also
report this
and I will try to fix. Right now, I would suggest you to turn off the
selection algorithm
to run.
By the way, could you send the input and MDOUT files that you run with
errors, thank you.
Best
Feng
On Wed, Feb 28, 2018 at 11:28 PM, Hugo Macdermott-Opeskin <
hugomacdermott.gmail.com> wrote:
> Hey All
> I am running a series of ABMD simulations using the Multiple Walkers and
> Well tempered flavours and have experienced a difficult to diagnose bug. I
> get a formatting error on an attempt to write to the master MDOUT file in a
> series of Multiple walkers "replicas". I think this stems from the nfe_abmd
> module writing very long selection score strings to the MDOUT file and
> overflowing a possible character limit per MDOUT line, or messing with he
> fixed format in some other way.
> with this in mind is there a character limit for writing to a single mdout
> line ?
>
> NFE : selection score for walker 6 is
> 80641650166112083776856133600937063296100000000000000.000000
> / 80641650166112083776856133600937063296100000000000000.000000 = 1.000 =>
> 6
> walker(s)
>
> The longest selection score string ive been able to find pre crash has been
> 185 characters.
>
> Thanks so much for your help
>
> Cheers
>
> Hugo
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>
--
Feng Pan
Ph.D.
North Carolina State University
Department of Physics
Email: fpan3.ncsu.edu
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Received on Wed Feb 28 2018 - 21:00:03 PST
