[Wien] at daemon

[Laurence Marks]

Check if your implimentation of at is exporting environmental
variables such as ulimit correctly.

On 9/18/07, Saeid Jalali <s_jalali_a at yahoo.com> wrote:
> Dear all,
> We are running the latest version of the code on Fedora Core 7 using the
> latest MKL and ifc compiler. Our system is Intel(R) Core(TM)2 Quad CPU @
> 2.40GHz.
>
> Our case, containing 60 atoms, is converged selfconsistently, if we perform
> run_lapw -p interactively. However, we would run it in background using at
> daemon. But surprisingly, we have observed the following error at first
> cycle, when we perform run_lapw -p using "at now" command:
> **  testerror: Error in Parallel LAPW2
>
> This is in the case that the at daemon works well for other lighter cases.
> Even it works for this heave case, if we reduce the Rkmax.
>
> The RAM memory of our system is 2 GB, and the swap memorry is 4 GB. When the
> 4 cores of our system are involved to run, in parallel, the lapw1, almost
> 3.5 GB out of the 4 GB swap space is used.
>
> We are surprised from where the problem of running the 60 atoms case only at
> background (and not interactively!) comes.
>
> Your,
> S. Jalali.
>
>
>
> yxl at email.jlu.edu.cn wrote:
>  Dear users,
>  Do you have ever met the same situation? In step kgen the number of
> k-points is
> the same, if enter 'yes' in 'Shift k-mesh' then all things will be ok until
> convergence,
>  but if enter 'no' then lapw1 error: Cholesky INFO = 4715
>  'SECLR4' - POTRF (Scalapack/LAPACK) failed.
>  I couldn't understand it, what's the difference between them. Any
> suggestions will
> be appreciated.
> Best wishes!
>  yours sincerely,
>  hongxia
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-- 
Laurence Marks
Department of Materials Science and Engineering
MSE Rm 2036 Cook Hall
2220 N Campus Drive
Northwestern University
Evanston, IL 60208, USA
Tel: (847) 491-3996 Fax: (847) 491-7820
email: L-marks at northwestern dot edu
Web: www.numis.northwestern.edu
EMM2007 http://ns.crys.ras.ru/EMMM07/
Commission on Electron Diffraction of IUCR
www.numis.northwestern.edu/IUCR_CED