[Wien] regarding hanging of job and mBJ

[Dr. K. C. Bhamu]

Yes, I am using mpi+ k- point parallization.

As per sge.job file.

Bhamu

On 25-Oct-2016 8:46 PM, "Laurence Marks" <L-marks at northwestern.edu> wrote:

> Are you using mpi or not? Sometimes mpi can hang for reasons I have
> never tracked down; there is also a "bug" in some versions of ssh that
> can lead to zombie processes. You can sometimes use a tool such as top
> or ganglia to see this.
>
> On Tue, Oct 25, 2016 at 10:05 AM, tran at theochem.tuwien.ac.at
> <tran at theochem.tuwien.ac.at> wrote:
> > You are using the most recent subroutine. With the older version, lapw0
> > could hang in rare cases. So, I don't understand why lapw0 is hanging
> > in your case.
> >
> > On Tuesday 2016-10-25 14:42, Dr. K. C. Bhamu wrote:
> >
> >>Date: Tue, 25 Oct 2016 14:42:08
> >>From: Dr. K. C. Bhamu <kcbhamu85 at gmail.com>
> >>Reply-To: A Mailing list for WIEN2k users <wien at zeus.theochem.tuwien.ac.
> at>
> >>To: A Mailing list for WIEN2k users <wien at zeus.theochem.tuwien.ac.at>
> >>Subject: Re: [Wien] regarding hanging of job and mBJ
> >>
> >>Please find enclosed brj.f file.
> >>
> >>Sincerely
> >>------------------------------------------------
> >>Dr. K. C. Bhamu
> >>(UGC-Dr. D. S. Kothari Postdoc Fellow)
> >>Department of Physics
> >>Goa University, Goa-403 206
> >>India
> >>Mob. No.  +91-9975238952
> >>
> >>On Tue, Oct 25, 2016 at 5:04 PM, <tran at theochem.tuwien.ac.at> wrote:
> >>      In this case I don't understand why lapw0 is hanging. Can you
> >>      send the subroutine brj.f?
> >>
> >>      On Tuesday 2016-10-25 12:18, Dr. K. C. Bhamu wrote:
> >>
> >>            Date: Tue, 25 Oct 2016 12:18:41
> >>            From: Dr. K. C. Bhamu <kcbhamu85 at gmail.com>
> >>            Reply-To: A Mailing list for WIEN2k users
> >>            <wien at zeus.theochem.tuwien.ac.at>
> >>            To: A Mailing list for WIEN2k users
> >>            <wien at zeus.theochem.tuwien.ac.at>
> >>            Subject: Re: [Wien] regarding hanging of job and mBJ
> >>
> >>
> >>                 Probably your are using an old version of
> >>            WIEN2k with the old
> >>                 scheme
> >>                 to find the solution of the nonlinear equation
> >>            in brj.f. You
> >>                 should get
> >>                 the new version brj.f which avoids such
> >>            problems.
> >>
> >>
> >>            No, I am using latest version of Wien2k with
> >>            mkl+ifort.
> >>            It is not for all case. It happens for few cases and
> >>            it doesn't matter that
> >>            which case I am running.
> >>
> >>                 _______________________________________________
> >>                 Wien mailing list
> >>                 Wien at zeus.theochem.tuwien.ac.at
> >>
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> >>
> >>
> >>
> >>
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> >>
> >>
> >>
> >>
>
>
>
> --
> Professor Laurence Marks
> "Research is to see what everybody else has seen, and to think what
> nobody else has thought", Albert Szent-Gyorgi
> www.numis.northwestern.edu ; Corrosion in 4D:
> MURI4D.numis.northwestern.edu
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> Co-Editor, Acta Cryst A
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