[Wien] nn command not found

[gujiajun@sjtu.edu.cn]

Dear Zhong,

I think it's better to compile the code on your own computer instead of using the executables downloaded from the Wien2k website. As recommended in the documents, the compiled one will be several times faster than the executables. My system is Suse 10.2 with intel ifc and mkl, and the compiled code works quite smoothly. I think you may follow Dr Gerhard's suggestion to check the message files. Moreover, I remember there are some enviroment papermeters need to be set for your Linux system. Please follow this

http://www.ghfecher.de/html/bandstructure.html


for details.


regards,

Gu



li ding <ferrochild at gmail.com>

> Dr Gerhard,
> Thank you very much.
> The nn file problem was sloved yesterday, which was caused by the f90
> compiler. Initially, it was download directly from Intel ifort compiler
> instead of the offered executables in WIEN2k website.
>
> Best regards
> yours
> ZZY
>
>
> On 10/16/07, Gerhard Fecher <fecher at uni-mainz.de> wrote:
>>
>> If nn is not in the Wien directory then probably something went wrong
>> during siteconfig_lapw.
>> Go to the SRC_NN directory and check compile.msg if errors occured during
>> compilation.
>>
>> Are the other programms (lapw0, etc) in the Wien directory ?
>> Did you receive serious (!) errors during compilation ? (not those about
>> clean)
>>
>> Actually it may be not a good idea to install in the /root directory (did
>> you install as root, if so, why ?), do it in youre user home directory.
>>
>> Check if all environment variables needed by Wien are correctly set in
>> youre bash.rc (hidden file).
>>
>> Ciao
>> Gerhard
>>
>>
>> -----Ursprüngliche Nachricht-----
>> Von: wien-bounces at zeus.theochem.tuwien.ac.at im Auftrag von li ding
>> Gesendet: Mo 15.10.2007 18:51
>> An: Wien at zeus.theochem.tuwien.ac.at
>> Betreff: [Wien] nn command not found
>>
>> Dear WIEN2k users,
>>
>> I am a freshman of wien2k.
>> A problem happened to me while running wien2k as the first time.
>> When I was running "initialize calc." and clicking and executing "x
>> nn"(nn-bondlength factor was 2), Wien2k showed below:
>> /root/WIEN2k/nn: Command not found
>> 0.000u 0.000s 0:00.00 0.0%   0+0k 0+0io 0pf+0w
>> error: command /root/WIEN2k/nn nn.def failed
>>
>> Someone met with the same problem in the searching results of group
>> emails.
>> I redid the siteconfig_lapw following the experenced person's suggestion.
>> But still I got the same wrong results. In fact, in the directory
>> /root/WIEN2k no nn file exists.
>> Profiles of system environment:
>> OS is SUSE linux 10.1
>> WIEN2k was installed in /root/WIEN2k/
>> Working directroy is /root/case/TiC/
>> sample file was named TiC
>> specify compiler is f90
>> c compiler is gcc
>>
>>
>> I need your helps.
>> Please!
>>
>> yours sincerely
>> Zhong
>> Brooklyn College of CUNY, NY, USA
>>
>>
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>>
>>
>>
>