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 <w...@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 >
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