[Wien] errors during instalation.
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 rm...@physics.susu.ac.ru To: A Mailing list for WIEN2k users wien at zeus.theochem.tuwien.ac.at 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 -- next part -- An HTML attachment was scrubbed... URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/2010/f5c1ddd3/attachment.htm
[Wien] errors during instalation.
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 rms85 at physics.susu.ac.ru *To:* A Mailing list for WIEN2k users wien at zeus.theochem.tuwien.ac.at *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 -- next part -- An HTML attachment was scrubbed... URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/2010/e72d850d/attachment.htm
[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 -- next part -- An HTML attachment was scrubbed... URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/2008/9c72d5cb/attachment.htm
[Wien] errors during instalation.
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 -- next part -- An HTML attachment was scrubbed... URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/2007/ceb2c1fe/attachment.htm
[Wien] errors during instalation.
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 -- next part -- An HTML attachment was scrubbed... URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/2007/3df5365e/attachment.htm
