Leena,
Are you running calculations locally or on an HPC resource? I have
encountered segmentation faults in the past when the instruction logs for
CPUs have been updated or changed. From the output file, it looks like the
executable 'sander.MPI' is not being recognized. Are you able to run any
other AMBER18 executables in your current environment?
Best,
Andrew Sugarman
On Tue, Aug 27, 2019 at 10:03 AM Leena Aggarwal <leena.hrc.gmail.com> wrote:
> Dear Amber Users
>
> I am getting an error *forrtl: severe (174) : SIGSEGV, segmentation fault*
> error while running the MD simulation production run in AMBER18.
> The simulation is smoothly running without any error in AMBER 12 but
> giving the above mentioned error in AMBER 18.
>
> For the reference, I have attached the logfile or error file.
>
> From
> Leena Aggarwal
> University of Delhi
> India
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Received on Tue Aug 27 2019 - 08:30:02 PDT
