[Wien] an unknown error

Muhammad Sajjad sajjadpu at gmail.com
Sat Sep 29 05:02:41 CEST 2012


thank you for your kind response. i can not understand the problem
according to your directions. it is mine fault as i am not much experienced
in Linux. i simply installed wien2k in root directory and now it is working
fine.

On Wed, Sep 19, 2012 at 1:32 PM, Peter Blaha
<pblaha at theochem.tuwien.ac.at>wrote:

> Check the compilation. sgroup is a C program, not fortran.
>
> cd SRC_sgroup
> more compile.msg
>
>
> Am 18.09.2012 10:39, schrieb Muhammad Sajjad:
>
>> Respected Group Members
>>
>> hello.
>>
>> I re-installed wien2k version 8 on a machine of type Dell Core I5 Desktop
>> with operating system FEDORA17 (64 BIT) , fortran compiler
>>
>> "l_fcompxe_2013.0.079".
>> when i start OPT then i found error on clicking 'x sgroup' in
>> initialization, and the error is
>>
>> /home/WIEN2K/w2k8/sgroup: Command not found.
>> /home/WIEN2K/w2k8/sgroup: Command not found.
>> diff: OPT.outputsgroup: No such file or directory
>> diff: OPT.outputsgroup1: No such file or directory
>> /home/WIEN2K/w2k8/sgroup: Command not found.
>> 0.000u 0.000s 0:00.00 0.0%      0+0k 0+0io 0pf+0w
>> error: command   /home/WIEN2K/w2k8/sgroup -wi OPT.struct -wo
>> OPT.struct_sgroup  -set-TOL=0.00001   failed
>>
>>
>> I am unable to find the reason and solution to this problem. Please guide
>> me in this regard.
>>
>> Thank you..
>>
>>
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>>
>>
> --
> ------------------------------**-----------
> Peter Blaha
> Inst. Materials Chemistry, TU Vienna
> Getreidemarkt 9, A-1060 Vienna, Austria
> Tel: +43-1-5880115671
> Fax: +43-1-5880115698
> email: pblaha at theochem.tuwien.ac.at
> ------------------------------**-----------
>
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