[Wien] regarding hanging of job and mBJ

[Laurence Marks]

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 <kcbhamu85 at 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-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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>> >>      Wien at 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=o1Tj0F8Q9rbQFXAnN9oBfdzxg6LIW5xwcznSKL2MDLw&e=
>> >>      SEARCH the MAILING-LIST at:
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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
>> Partner of the CFW 100% program for gender equity, www.cfw.org/100-percent
>> Co-Editor, Acta Cryst A
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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
Partner of the CFW 100% program for gender equity, www.cfw.org/100-percent
Co-Editor, Acta Cryst A