[Wien] errors during instalation.

[Zahra Talebi]

Hi dear user,
We tried to instal the new version of wien with the latest version of ifort on 
our university computer. our computer have centos 5.5 and is 32 bit. During the 
instalation, we accept any recomendation that the program give us, but at the 
end of instalation we got alot of errors. we didn`t know how to solve the 
errors, for now we can open the wien page after typing w2web in the terminal 
but when we try to run an example in the begining of run it will give an error 
and would say it cannot find lapw0. 
There is a part during instalation which wien ask us about the address of 
library and some things else in that place we just accept what the computer had 
recommend, but now we think we have to change it. How can we go back to that 
part? Do we have to start instalation again. 
I am sorry if my question is so bad, I just don`t know how I have to explaina 
bout my problem. 
thanks for your help
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[Wien] errors during instalation.

[Gavin Abo]

The latest version of ifort (Composer XE 2011 Update 7) will likely not 
compile Wien2k correctly.  Try Composer XE 2011 Update 3 
(composerxe-2011.3.174), it seems stable for Wien2k.

The lapw0 error is probably because you need to change the compiler 
optimization flag to -O1.  By default, it might be -O3, which has been 
known to break code loops using ifort 12.

In the directory of Wien2k files, try the following command to rerun the 
installation in the terminal: ./siteconfig_lapw

Alternatively, you can type: ./siteconfig
- Selecting the O option should take you where you can check or set the 
compiler flag to -O1.

Also, try searching the mailing list archive 
(http://www.wien2k.at/reg_user/index.html) for similar discussions.

Hope this helps.

On 11/7/2011 2:08 PM, Zahra Talebi wrote:
> Hi dear user,
> We tried to instal the new version of wien with the latest version of 
> ifort on our university computer. our computer have centos 5.5 and is 
> 32 bit. During the instalation, we accept any recomendation that the 
> program give us, but at the end of instalation we got alot of errors. 
> we didn`t know how to solve the errors, for now we can open the wien 
> page after typing w2web in the terminal but when we try to run an 
> example in the begining of run it will give an error and would say it 
> cannot find lapw0.
> There is a part during instalation which wien ask us about the address 
> of library and some things else in that place we just accept what the 
> computer had recommend, but now we think we have to change it. How can 
> we go back to that part? Do we have to start instalation again.
> I am sorry if my question is so bad, I just don`t know how I have to 
> explaina bout my problem.
> thanks for your help
>

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[Wien] errors during instalation.

[Maxim Rakitin]

Did you source Intel environment variables? They can be found in intel 
install dir in bin directory.

Could you please provide a log of the installation?

Best regards,
Maxim Rakitin
South Ural State University
Chelyabinsk, Russia
Email: rms85 at physics.susu.ac.ru
Web: http://www.susu.ac.ru


08.11.2011 7:21, Gavin Abo ?:
> The latest version of ifort (Composer XE 2011 Update 7) will likely 
> not compile Wien2k correctly.  Try Composer XE 2011 Update 3 
> (composerxe-2011.3.174), it seems stable for Wien2k.
>
> The lapw0 error is probably because you need to change the compiler 
> optimization flag to -O1.  By default, it might be -O3, which has been 
> known to break code loops using ifort 12.
>
> In the directory of Wien2k files, try the following command to rerun 
> the installation in the terminal: ./siteconfig_lapw
>
> Alternatively, you can type: ./siteconfig
> - Selecting the O option should take you where you can check or set 
> the compiler flag to -O1.
>
> Also, try searching the mailing list archive 
> (http://www.wien2k.at/reg_user/index.html) for similar discussions.
>
> Hope this helps.
>
> On 11/7/2011 2:08 PM, Zahra Talebi wrote:
>> Hi dear user,
>> We tried to instal the new version of wien with the latest version of 
>> ifort on our university computer. our computer have centos 5.5 and is 
>> 32 bit. During the instalation, we accept any recomendation that the 
>> program give us, but at the end of instalation we got alot of errors. 
>> we didn`t know how to solve the errors, for now we can open the wien 
>> page after typing w2web in the terminal but when we try to run an 
>> example in the begining of run it will give an error and would say it 
>> cannot find lapw0.
>> There is a part during instalation which wien ask us about the 
>> address of library and some things else in that place we just accept 
>> what the computer had recommend, but now we think we have to change 
>> it. How can we go back to that part? Do we have to start instalation 
>> again.
>> I am sorry if my question is so bad, I just don`t know how I have to 
>> explaina bout my problem.
>> thanks for your help
>>
>
>
>
> ___
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
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[Wien] errors during instalation.

[Zahra Talebi]

thanks for your explenation.?
please tell me where can I find my logof intalation to send it to you. I am 
very beginer in installing wien2k. 

can you send the file of composerxe-2011.3.174. because I think our ifort 
doesn`t stable with our wien2k. 

Then tell me how to put it as a source. 

thank you. 




From: Maxim Rakitin 
To: A Mailing list for WIEN2k users 
Sent: Tuesday, November 8, 2011 6:39 AM
Subject: Re: [Wien] errors during instalation.


Did you source Intel environment variables? They can be found in intel install 
dir in bin directory.

Could you please provide a log of the installation?

Best regards, Maxim Rakitin South Ural State University Chelyabinsk, Russia 
?Email: rms85 at physics.susu.ac.ru Web: http://www.susu.ac.ru
08.11.2011 7:21, Gavin Abo ?: 
The latest version of ifort (Composer XE 2011 Update 7) will likely not compile 
Wien2k correctly.? Try Composer XE 2011 Update 3 (composerxe-2011.3.174), it 
seems stable for Wien2k. 
> 
>The lapw0 error is probably because you need to change the
compiler optimization flag to -O1.? By default, it might be -O3,
which has been known to break code loops using ifort 12.
>
>In the directory of Wien2k files, try the following command to
rerun the installation in the terminal: ./siteconfig_lapw
>
>Alternatively, you can type: ./siteconfig
>- Selecting the O option should take you where you can check or set the 
>compiler flag to -O1.
>
>Also, try searching the mailing list archive 
>(http://www.wien2k.at/reg_user/index.html)
for similar discussions.
>
>Hope this helps.
>
>On 11/7/2011 2:08 PM, Zahra Talebi wrote: 
>Hi dear user,
>>We tried to instal the new version of wien with the latest version of ifort 
>>on our university computer. our computer have centos 5.5 and is 32 bit. 
>>During the instalation, we accept any recomendation that the program give us, 
>>but at the end of instalation we got alot of errors. we didn`t know how to 
>>solve the errors, for now we can open the wien page after typing w2web in the 
>>terminal but when we try to run an example in the begining of run it will 
>>give an error and would say it cannot find lapw0. 
>>There is a part during instalation which wien ask us about the address of 
>>library and some things else in that place we just accept what the computer 
>>had recommend, but now we think we have to change it. How can we go back to 
>>that part? Do we have to start instalation again. 
>>I am sorry if my question is so bad, I just don`t know how I have to explaina 
>>bout my problem. 
>>thanks for your help
>>
>
>
>
>___
Wien mailing list Wien at zeus.theochem.tuwien.ac.at 
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien 
___
Wien mailing list
Wien at zeus.theochem.tuwien.ac.at
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
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[Wien] errors during instalation.

[Gavin Abo]

You can get composerxe-2011.3.174 from the Intel website.  You or your 
administrator should have received a link from Intel that directs you to 
where you can get the file.  If not, you may need to register to get an 
email with the download link to the latest and previous versions of 
composer xe.  You can register at:

https://registrationcenter.intel.com/RegCenter/Register.aspx

To install, you should be able to decompress the file ( tar -zxvf) and 
then run the install script (install.sh).  Then, make sure your 
environmental variables are set as Maxim described in response to you 
post.  It is a good idea to remove Update 7 first if you don't need it 
of other work.  There should be an uninstall script for removal (maybe, 
uninstall.sh).

Gavin

On 11/10/2011 8:23 AM, Zahra Talebi wrote:
> thanks for your explenation.
> please tell me where can I find my logof intalation to send it to you. 
> I am very beginer in installing wien2k.
> can you send the file of composerxe-2011.3.174. because I think our 
> ifort doesn`t stable with our wien2k.
> Then tell me how to put it as a source.
> thank you.
>
> 
> *From:* Maxim Rakitin 
> *To:* A Mailing list for WIEN2k users 
> *Sent:* Tuesday, November 8, 2011 6:39 AM
> *Subject:* Re: [Wien] errors during instalation.
>
> Did you source Intel environment variables? They can be found in intel 
> install dir in bin directory.
>
> Could you please provide a log of the installation?
> Best regards,
> Maxim Rakitin
> South Ural State University
> Chelyabinsk, Russia
> Email:rms85 at physics.susu.ac.ru  <mailto:rms85 at physics.susu.ac.ru>
> Web: http://www.susu.ac.ru
>
> 08.11.2011 7:21, Gavin Abo ?:
>> The latest version of ifort (Composer XE 2011 Update 7) will likely 
>> not compile Wien2k correctly.  Try Composer XE 2011 Update 3 
>> (composerxe-2011.3.174), it seems stable for Wien2k.
>>
>> The lapw0 error is probably because you need to change the compiler 
>> optimization flag to -O1.  By default, it might be -O3, which has 
>> been known to break code loops using ifort 12.
>>
>> In the directory of Wien2k files, try the following command to rerun 
>> the installation in the terminal: ./siteconfig_lapw
>>
>> Alternatively, you can type: ./siteconfig
>> - Selecting the O option should take you where you can check or set 
>> the compiler flag to -O1.
>>
>> Also, try searching the mailing list archive 
>> (http://www.wien2k.at/reg_user/index.html) for similar discussions.
>>
>> Hope this helps.
>>
>> On 11/7/2011 2:08 PM, Zahra Talebi wrote:
>>> Hi dear user,
>>> We tried to instal the new version of wien with the latest version 
>>> of ifort on our university computer. our computer have centos 5.5 
>>> and is 32 bit. During the instalation, we accept any recomendation 
>>> that the program give us, but at the end of instalation we got alot 
>>> of errors. we didn`t know how to solve the errors, for now we can 
>>> open the wien page after typing w2web in the terminal but when we 
>>> try to run an example in the begining of run it will give an error 
>>> and would say it cannot find lapw0.
>>> There is a part during instalation which wien ask us about the 
>>> address of library and some things else in that place we just accept 
>>> what the computer had recommend, but now we think we have to change 
>>> it. How can we go back to that part? Do we have to start instalation 
>>> again.
>>> I am sorry if my question is so bad, I just don`t know how I have to 
>>> explaina bout my problem.
>>> thanks for your help
>>>
>>
>>
>>
>> ___
>> Wien mailing list
>> Wien at zeus.theochem.tuwien.ac.at  <mailto:Wien at 
>> zeus.theochem.tuwien.ac.at>
>> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
>
> ___
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at <mailto:Wien at zeus.theochem.tuwien.ac.at>
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
>
>
>
>
> ___
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien

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