This is with 4.26.4
The problem also occurs (and was first observed) with pytraj.load() , but
does not seem to occur with pytraj.iterload()
On Fri, May 14, 2021, 11:32 AM Daniel Roe <daniel.r.roe.gmail.com> wrote:
> Hi,
>
> What version of cpptraj are you using?
>
> -Dan
>
> On Fri, May 14, 2021 at 11:20 AM Brian Radak <brian.radak.gmail.com>
> wrote:
>
> > I've recently been running a lot of one-dimensional HREMD (-rem 3) with
> > PMEMDGTI. I started to notice certain analysis scripts failing and traced
> > it back to a cpptraj segfault whenever one (and only one) REMD trajectory
> > is read in - literally
> >
> > $ cpptraj -p prmtop -y mdcrd
> > Segmentation fault (core dumped)
> >
> > I added -debug 999 and it looks like the trajectory is actually
> > successfully read and closed and _then_ the segfaults occurs.
> >
> > Suggestions? Is this bc of some automatic response to REMD annotations?
> Is
> > there a way to suppress that response? My only goal here is to do basic
> > imaging and centering before extracting a frame. I don't actually have
> > interest in the REMD data itself.
> >
> > Cheers,
> > Brian
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> >
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Received on Fri May 14 2021 - 11:00:02 PDT
