[Wien] regarding hanging of job and mBJ

[Laurence Marks]

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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>>      _______________________________________________
>>      Wien mailing list
>>      Wien at zeus.theochem.tuwien.ac.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