[Smeagol-discuss] Smeagol-discuss Digest, Vol 29, Issue 2

[Xiaohong Zheng]

Of course, you should put the *.psf file in the same directory where 
your input file lies.  Smeagol cannot find it automatically.





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>    1. some wrong with *.psf file (lvxiaoling2009)
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> ----------------------------------------------------------------------
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> Message: 1
> Date: Tue, 25 May 2010 15:07:05 +0800 (CST)
> From: lvxiaoling2009 <lvxiaoling2009 at 126.com>
> Subject: [Smeagol-discuss] some wrong with *.psf file
> To: Smeagol-discuss at lists.tchpc.tcd.ie
> Message-ID:
> 	<39bb89c3.741a.128ce493a34.Coremail.lvxiaoling2009 at 126.com>
> Content-Type: text/plain; charset="gbk"
>
> Dear all
> I have installed the smeagol . But when I run it ,there ocurred some wrong with it . I check my mpich and I think there's nothing wrong with it. I am in trouble Whether smeagol need *.psf file . I didn't give it this file, I think smeagol can find it automatically.
> Termi ocurred the below information.
> read_pseudo: ERROR: Pseudopotential file not found: Mg.psf              
> Stopping Program
> MPI_ABORT was invoked on rank 0 in communicator MPI_COMM_WORLD
> with errorcode 1.
> NOTE: invoking MPI_ABORT causes Open MPI to kill all MPI processes.
> You may or may not see output from other processes, depending on
> exactly when Open MPI kills them.
>  
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