Dear Stefano, actually I have to calculate the bridging part for
comparison. For other co-solute case it works fine but only problem with
water.
Dear Daniel Sir, I never tried with single threaded. But before using OMP
version I used serial version of cpptraj but it took too much time so I
start using OMP version.
Ok, I will report quickly after using single threaded.
Thank You
On Thu 13 Jun, 2019, 9:25 PM Daniel Roe, <daniel.r.roe.gmail.com> wrote:
> Hi,
>
> Do you get the segfault when running single threaded cpptraj?
>
> -Dan
>
> On Thu, Jun 13, 2019 at 10:41 AM somdev pahari <somdevpahari1.gmail.com>
> wrote:
> >
> > Dear AMBER community,
> >
> > I am using cpptraj.OMP for calculating hbond between lipid and water in
> my
> > Desktop.
> > Everything is running good but at the end I get something "Aborted (core
> > dumped)"
> > message. Though output files are created but do not cover my full
> > trajectory.
> > The cpptraj.OMP version is V4.14.0 (AmberTools V19.02) OpenMP.
> > Here below I attach a file containing the message. Please take a look and
> > give me your suggestions. Thanks in advance.
> >
> > Regards
> > Somdev Pahari
> > PhD Scholar
> > NIT Rourkela
> > Rourkela, Odisha
> > India
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Received on Thu Jun 13 2019 - 09:30:04 PDT
