Thank you Prof. Laurence.

I will try to tune the number of cores.

Bhamu




On Tue, Oct 25, 2016 at 10:40 PM, Laurence Marks <l-ma...@northwestern.edu>
wrote:

> Try changing the number of cores for lapw0. I have seen most problems
> with 64 cores, but sometimes other. It is not common, but does occur.
>
> On Tue, Oct 25, 2016 at 11:48 AM, Dr. K. C. Bhamu <kcbham...@gmail.com>
> wrote:
> > Yes, I am using mpi+ k- point parallization.
> >
> > As per sge.job file.
> >
> > Bhamu
> >
> >
> > On 25-Oct-2016 8:46 PM, "Laurence Marks" <l-ma...@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, t...@theochem.tuwien.ac.at
> >> <t...@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 <kcbham...@gmail.com>
> >> >>Reply-To: A Mailing list for WIEN2k users
> >> >> <wien@zeus.theochem.tuwien.ac.at>
> >> >>To: A Mailing list for WIEN2k users <wien@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, <t...@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 <kcbham...@gmail.com>
> >> >>            Reply-To: A Mailing list for WIEN2k users
> >> >>            <wien@zeus.theochem.tuwien.ac.at>
> >> >>            To: A Mailing list for WIEN2k users
> >> >>            <wien@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@zeus.theochem.tuwien.ac.at
> >> >>
> >> >>
> >> >> https://urldefense.proofpoint.com/v2/url?u=http-3A__zeus.
> theochem.tuwien.ac.at_mailman_listinfo_wien&d=CwIDaQ&c=
> yHlS04HhBraes5BQ9ueu5zKhE7rtNXt_d012z2PA6ws&r=U_
> T4PL6jwANfAy4rnxTj8IUxm818jnvqKFdqWLwmqg0&m=CDG_
> DYKUx13PsYrh9eJG9XMEZLoJcxFNBRdEglc4FPM&s=o1Tj0F8Q9rbQFXAnN9oBfdzxg6LIW5
> xwcznSKL2MDLw&e=
> >> >>                 SEARCH the MAILING-LIST at:
> >> >>
> >> >>
> >> >> https://urldefense.proofpoint.com/v2/url?u=http-3A__www.
> mail-2Darchive.com_wien-40zeus.theochem.tuwien.ac.at_
> index.html&d=CwIDaQ&c=yHlS04HhBraes5BQ9ueu5zKhE7rtNXt_d012z2PA6ws&r=U_
> T4PL6jwANfAy4rnxTj8IUxm818jnvqKFdqWLwmqg0&m=CDG_
> DYKUx13PsYrh9eJG9XMEZLoJcxFNBRdEglc4FPM&s=8szz63kX7OITc3zQvb0Jh9SMWRpJZ0
> EFzTcAxcSXukI&e=
> >> >>
> >> >>
> >> >>
> >> >>
> >> >>      _______________________________________________
> >> >>      Wien mailing list
> >> >>      Wien@zeus.theochem.tuwien.ac.at
> >> >>
> >> >> https://urldefense.proofpoint.com/v2/url?u=http-3A__zeus.
> theochem.tuwien.ac.at_mailman_listinfo_wien&d=CwIDaQ&c=
> yHlS04HhBraes5BQ9ueu5zKhE7rtNXt_d012z2PA6ws&r=U_
> T4PL6jwANfAy4rnxTj8IUxm818jnvqKFdqWLwmqg0&m=CDG_
> DYKUx13PsYrh9eJG9XMEZLoJcxFNBRdEglc4FPM&s=o1Tj0F8Q9rbQFXAnN9oBfdzxg6LIW5
> xwcznSKL2MDLw&e=
> >> >>      SEARCH the MAILING-LIST at:
> >> >>
> >> >> https://urldefense.proofpoint.com/v2/url?u=http-3A__www.
> mail-2Darchive.com_wien-40zeus.theochem.tuwien.ac.at_
> index.html&d=CwIDaQ&c=yHlS04HhBraes5BQ9ueu5zKhE7rtNXt_d012z2PA6ws&r=U_
> T4PL6jwANfAy4rnxTj8IUxm818jnvqKFdqWLwmqg0&m=CDG_
> DYKUx13PsYrh9eJG9XMEZLoJcxFNBRdEglc4FPM&s=8szz63kX7OITc3zQvb0Jh9SMWRpJZ0
> EFzTcAxcSXukI&e=
> >> >>
> >> >>
> >> >>
> >> >>
> >>
> >>
> >>
> >> --
> >> 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
> >> Partner of the CFW 100% program for gender equity,
> www.cfw.org/100-percent
> >> Co-Editor, Acta Cryst A
> >> _______________________________________________
> >> Wien mailing list
> >> Wien@zeus.theochem.tuwien.ac.at
> >> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
> >> SEARCH the MAILING-LIST at:
> >> http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
>
>
>
> --
> 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
> Partner of the CFW 100% program for gender equity, www.cfw.org/100-percent
> Co-Editor, Acta Cryst A
> _______________________________________________
> Wien mailing list
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>
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