That trace is not of the best of help, full of Unknown...
can you add in your script before you run dlpoly
ulimit -a
and then show me the output coming from that. Shall be in the output file of
your job.
Alin
On Thursday, 21 September 2017 03:53:03 BST you wrote:
> Hi Alin,
>
> I have tried search the cause of crash for small stepsize in TABLE. I am
> slrum based system. Can you guide me why I am getting segmentation fault
> occurred. Is it because of low memory? Or something else? Kindly see my
> reason of crash.
>
> chimera-node31
> chimera-node31.internal
> /opt/pkg/openmpi/2.0.2-intel/bin/mpirun
> forrtl: severe (174): SIGSEGV, segmentation fault occurred
> Image PC Routine Line Source
> DLPOLY.Z 0000000000AD51E1 tbk_trace_stack_i Unknown Unknown
> DLPOLY.Z 0000000000AD331B tbk_string_stack_ Unknown Unknown
> DLPOLY.Z 0000000000A7D714 Unknown Unknown Unknown
> DLPOLY.Z 0000000000A7D526 tbk_stack_trace Unknown Unknown
> DLPOLY.Z 0000000000A1B8B7 for__issue_diagno Unknown Unknown
> DLPOLY.Z 0000000000A1EDD0 for__signal_handl Unknown Unknown
> libpthread-2.17.s 00002B2C9E64C370 Unknown Unknown Unknown
> DLPOLY.Z 0000000000518535 Unknown Unknown Unknown
> DLPOLY.Z 000000000054F734 Unknown Unknown Unknown
> DLPOLY.Z 0000000000A016D7 Unknown Unknown Unknown
> DLPOLY.Z 000000000040A51E Unknown Unknown Unknown
> libc-2.17.so 00002B2C9E87AB35 __libc_start_main Unknown Unknown
> DLPOLY.Z 000000000040A429 Unknown Unknown Unknown
> -------------------------------------------------------
> Primary job terminated normally, but 1 process returned
> a non-zero exit code.. Per user-direction, the job has been aborted.
> -------------------------------------------------------
> --------------------------------------------------------------------------
> mpirun detected that one or more processes exited with non-zero status,
> thus causing
> the job to be terminated. The first process to do so was:
>
> Process name: [[27016,1],0]
> Exit code: 174
> --------------------------------------------------------------------------
> cp: cannot stat âSTATISâ: No such file or directory
> cp: cannot stat âHISTORYâ: No such file or directory
>
>
> Best
>
> Ommair
>
> On Wed, Sep 20, 2017 at 7:55 AM, Alin Marin Elena <[log in to unmask]>
>
> wrote:
> > yes I know. As I said in the email I have run your input with 4.08 and got
> > no issue. as indicated by the output that I have attached previously.
> >
> > Alin
> >
> > Without Questions there are no Answers!
> > ______________________________________________________________________
> > Dr. Alin Marin ELENA
> > http://alin.elena.space/ <http://alin.elenaworld.net/>
> > ______________________________________________________________________
> >
> > On 20 September 2017 at 12:38, Ommair Ishaque <[log in to unmask]> wrote:
> >> Alin,
> >> It is already in my attached folder.
> >>
> >> On Sep 20, 2017 4:06 AM, "Alin M Elena" <[log in to unmask]>
> >> wrote:
> >>
> >> Hi Ommair,
> >>
> >> I could run your input without any problems. attached some output from
> >> the
> >> run.
> >>
> >> Alin
> >>
> >> On Wednesday, 20 September 2017 04:37:29 BST you wrote:
> >> > Hi All,
> >> >
> >> > I have created TABLE file for TIP4P water potential to run it on
> >> > DL_POLY
> >> > 4.08 with stepsize of 0.00001. Is there any limit on stepsize beyond
> >>
> >> which
> >>
> >> > dlpoly 4.08 will not accept it? Because for above mentioned stepsize my
> >>
> >> job
> >>
> >> > is crashing. Can anyone check why it is happening? And with same
> >>
> >> stepsize
> >>
> >> > in TABLE file dlpoly 2.20 and dlpoyclassic is running fine.
> >> >
> >> > I am attaching my files.
> >> >
> >> > Best
> >> >
> >> > Ommair
> >>
> >> --
> >> Without Questions there are no Answers!
> >> ______________________________________
> >> Dr. Alin Marin ELENA, F24
> >> Daresbury Laboratory, STFC
> >> Keckwick Lane
> >> Daresbury, Cheshire
> >> UK, WA4 4AD
> >> +44 (0) 1925 60 3080
> >> _______________________________________
Dr. Alin Marin ELENA
http://alin.elena.space/
|
