[Smeagol-discuss] please help: strange errors Smeagol1.0/Siesta1.3p

[Ivan Rungger]

Hello Radu,

 can you run the attached files and see if it runs?

Cheers,

Ivan

radu.download wrote:
>
> Dear Smeagolers,
>
> I'm just a newbie in Smeagol. I have managed to install Smeagol 1.0 on 
> top of Siesta 1.3p, using [the arch.make is attached]
> mkl/12.0
> mpich2/1.3.2p1/intel/11.1
> intel/11.1
>
> First I've done a serial lead calculation, followed by a Pot.exe 
> post-processing, followed by a 4-core parallel calculation for the 
> entire system [leads + scattering region] [the output file and the 
> submitting file for running on the cluster are attached]; I get some 
> strange errors and I don't know what is the cause, and how to solve 
> them. I tried different settings for the Monkhorst-Pack (4x4x1 output 
> file o441; 3x3x1 output file o331).
>
> Please give me some suggestion on how to solve these errors.
>
> I thank you for your time & for your answers!
> ------------------------------------------------------------------------
>
> _______________________________________________
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> Smeagol-discuss at lists.tchpc.tcd.ie
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