[Wien] regarding hanging of job and mBJ

tran at theochem.tuwien.ac.at tran at theochem.tuwien.ac.at
Tue Oct 25 13:34:21 CEST 2016


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.
>
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