Hi, Hugo
I believe it is because you set wt_temperature a nonzero number, use the
resultant wt_umbrella from your flooding and set wt_temperature to zero
here,
it should be solved.
Feng
On Tue, Oct 2, 2018 at 8:20 PM Hugo Macdermott-Opeskin <
hugomacdermott.gmail.com> wrote:
> Hey all (Feng).
> I am trying to run some "UMBRELLA" mode ABMD simulations following
> generation of a nice biasing potential. I am running 6 walkers that share a
> biasing potential. I am getting an unusual error.
> NFE assert failed nfe lib (799)
>
> further inspection of nfe lib line 799
>
> do n = 1, nextents
> nfe_assert(extents(n).ge.UMBRELLA_MIN_EXTENT)
> nfe_assert(spacing(n).gt.ZERO)
>
> I dont really understand what is tripping here?
> Thanks for any help ?
> Kind Regards
> 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 Oct 03 2018 - 07:30:02 PDT
