[Wien] at daemon

[Stefaan Cottenier]

With 'at' you effectively make a new (non-interactive) login, and the  
values of some system variables are not necessarily read from the same  
place. You might e.g. have another stacksize. You can test this by  
inspecting e.g. the value of the stacksize during an interactive  
session, and by 'at' (let it be written to a file).

If this is the origin of your problem, then change your linux set-up  
such that an 'at' session is initialized as an interactive session  
(how depends on your shell).

Stefaan


Quoting Saeid Jalali <s_jalali_a at yahoo.com>:

> 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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>
>
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-- 
Stefaan Cottenier
Instituut voor Kern- en Stralingsfysica
K.U.Leuven
Celestijnenlaan 200 D
B-3001 Leuven (Belgium)

tel: + 32 16 32 71 45
fax: + 32 16 32 79 85
e-mail: stefaan.cottenier at fys.kuleuven.be


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