[Wien] Error in Nearest neighbor program when running TiC example

[John Bevington]

I tried changing /bin/csh to /bin/tcsh in all *_lapw scripts but that did not correct the error.  Should I try compiling with a different version of ifort and/or mkl?

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> Date: Tue, 15 Jul 2008 14:07:47 +0200
> From: pblaha at theochem.tuwien.ac.at
> To: wien at zeus.theochem.tuwien.ac.at
> Subject: Re: [Wien] Error in Nearest neighbor program when running TiC	example
> 
> Only a vague idea:
> Maybe your csh shell is not ok.
> 
> Please edit in $WIENROOT the file x_lapw  and replace /bin/csh by /bin/tcsh
> 
> If this works, you should maybe do this change in all *_lapw scripts (or
> install a proper csh, eventually simply copying tcsh over csh).
> 
> John Bevington schrieb:
>> After compiling wien2k, I tired to run the TiC example as per the Quick Start instructions in the UG.  I can generate a structure file using StuctGen and view the TiC structure with XCRYSDEN.  However, when I try to run nn (nearest neighbors) under initialize calc I get the following error:
>> 
>> Commandline: x nn
>> Program input is: "2 "
>> 
>> argv1: Subscript out of range.
>> 
>> I've searched the mailing list, checked and re-checked the users guide and found nothing.  Am I missing something simple?  Please help...
>> 
>> - Thanks
>> 
>> P.S.  My system info:
>> 
>> Dell workstation T7400 (w/dual Xeon quad core processors)
>> Fedora 9
>> Intel fortran compiler 10.1.015
>> Intel MKL 10.0.3.020
>> wien2k v8.2
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> 
> -- 
> 
>                                        P.Blaha
> --------------------------------------------------------------------------
> Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
> Phone: +43-1-58801-15671             FAX: +43-1-58801-15698
> Email: blaha at theochem.tuwien.ac.at    WWW: http://info.tuwien.ac.at/theochem/
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