Re: [Wien] Error running wannier90.x for GaAs spin-orbit coupling wien2wannier
Dear Mr. Elias Assmann I confirmed with your suggested interactive test that my version of c - shell does not support -s. As you recommended, I've now upgraded to tcsh and successfully run x wannier90 -so for GaAs. Problem fixed. Thank you very much for your help! best regards, Dara Goldar 2016-12-04 17:21 GMT+01:00 Elias Assmann : > On 12/04/2016 03:01 PM, Dara Goldar wrote: > > With the following command, I get some information on the version of > > c-shell I am running: > > > > dpkg -l csh > > > > > > ||/ Name Version Description > > +++---== > == > > ii csh 20110502-2ubuntu Shell with C-like syntax > > Run ‘csh --version’. Mine says ‘tcsh 6.19.00’; it should be ‘tcsh’, > otherwise I would recommend installing tcsh instead of csh. > > > I am not familiar with c shell, but will try to test whether -s works on > > my version or not. > > It is easy to test interactively, e.g. > > $ echo 1 > test > $ csh > % if (-s test) echo yes > yes > > > > Is your suggestion that I make the following change in x_lapw which you > > suggested and then recompile x_lapw? > > > > /I later changed ‘! -s $file’ to ‘! ( -e $file.amnup && ! -z $file.amnup > > )’ because older csh versions do not have the ‘-s’ test. (Maybe it is a > > ‘tcsh’ vs. ‘csh’ issue.)/ > > You could do that, but if this is indeed the problem, I would upgrade to > tcsh if possible. > > Note the typo above: I meant replace > > -s FILE > > with the equivalent > > ( -e FILE && ! -z FILE ) > > > Elias > > > > ___ > Wien mailing list > Wien@zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien > SEARCH the MAILING-LIST at: http://www.mail-archive.com/ > wien@zeus.theochem.tuwien.ac.at/index.html > > ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
Re: [Wien] Error running wannier90.x for GaAs spin-orbit coupling wien2wannier
On 12/04/2016 03:01 PM, Dara Goldar wrote: > With the following command, I get some information on the version of > c-shell I am running: > > dpkg -l csh > > > ||/ Name Version Description > +++--- > ii csh 20110502-2ubuntu Shell with C-like syntax Run ‘csh --version’. Mine says ‘tcsh 6.19.00’; it should be ‘tcsh’, otherwise I would recommend installing tcsh instead of csh. > I am not familiar with c shell, but will try to test whether -s works on > my version or not. It is easy to test interactively, e.g. $ echo 1 > test $ csh % if (-s test) echo yes yes > Is your suggestion that I make the following change in x_lapw which you > suggested and then recompile x_lapw? > > /I later changed ‘! -s $file’ to ‘! ( -e $file.amnup && ! -z $file.amnup > )’ because older csh versions do not have the ‘-s’ test. (Maybe it is a > ‘tcsh’ vs. ‘csh’ issue.)/ You could do that, but if this is indeed the problem, I would upgrade to tcsh if possible. Note the typo above: I meant replace -s FILE with the equivalent ( -e FILE && ! -z FILE ) Elias signature.asc Description: OpenPGP digital signature ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
Re: [Wien] Error running wannier90.x for GaAs spin-orbit coupling wien2wannier
Dear Mr. Elias Assmann Thank you for your quick reply. I gave you incorrect information on the operative system I am running, it is not linux but Ubuntu. Sorry about that. With the following command, I get some information on the version of c-shell I am running: dpkg -l csh ||/ Name Version Description +++--- ii csh 20110502-2ubuntu Shell with C-like syntax I'm not sure how helpful this is for you though. I am not familiar with c shell, but will try to test whether -s works on my version or not. Is your suggestion that I make the following change in x_lapw which you suggested and then recompile x_lapw? *I later changed ‘! -s $file’ to ‘! ( -e $file.amnup && ! -z $file.amnup )’ because older csh versions do not have the ‘-s’ test. (Maybe it is a ‘tcsh’ vs. ‘csh’ issue.)* best regards, Dara 2016-12-04 13:25 GMT+01:00 Elias Assmann : > Dear Dara Golda, > > On 12/04/2016 12:29 PM, Dara Goldar wrote: > > I am trying to run wien2wannier on a spin-orbit GaAs - case, but > > experiencing problems when running *x wannier90 - so*. > > > > … > > (x) w2waddsp: neither mmn nor amn files present -- nothing to do -> > exit > > > I have however confirmed that the files case.amnup and case.amndn etc > > are present in the folder. Furthermore, no files in the WANN-files > > contain any information on errors! > > In Wien2k 14.2, the ‘w2waddsp’ section of x_lapw reads > > case w2waddsp: > true >$def > … > if (! -s $file.amnup && ! -s $file.mmnup) then > error "w2waddsp: neither mmn nor amn files present -- nothing to do" > endif > … > > I later changed ‘! -s $file’ to ‘! ( -e $file.amnup && ! -z $file.amnup > )’ because older csh versions do not have the ‘-s’ test. (Maybe it is a > ‘tcsh’ vs. ‘csh’ issue.) > > Does your csh support ‘-s’ (you can test that interactively)? What does > ‘csh --version’ say? > > Elias > > -- > Elias Assmann > > Wien2Wannier: maximally localized Wannier functions > from linearized augmented plane waves > > http://wien2wannier.github.io/ > https://github.com/wien2wannier/wien2wannier/ > > > ___ > Wien mailing list > Wien@zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien > SEARCH the MAILING-LIST at: http://www.mail-archive.com/ > wien@zeus.theochem.tuwien.ac.at/index.html > > ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
Re: [Wien] Error running wannier90.x for GaAs spin-orbit coupling wien2wannier
Dear Dara Golda, On 12/04/2016 12:29 PM, Dara Goldar wrote: > I am trying to run wien2wannier on a spin-orbit GaAs - case, but > experiencing problems when running *x wannier90 - so*. > > … (x) w2waddsp: neither mmn nor amn files present -- nothing to do -> exit > I have however confirmed that the files case.amnup and case.amndn etc > are present in the folder. Furthermore, no files in the WANN-files > contain any information on errors! In Wien2k 14.2, the ‘w2waddsp’ section of x_lapw reads case w2waddsp: true >$def … if (! -s $file.amnup && ! -s $file.mmnup) then error "w2waddsp: neither mmn nor amn files present -- nothing to do" endif … I later changed ‘! -s $file’ to ‘! ( -e $file.amnup && ! -z $file.amnup )’ because older csh versions do not have the ‘-s’ test. (Maybe it is a ‘tcsh’ vs. ‘csh’ issue.) Does your csh support ‘-s’ (you can test that interactively)? What does ‘csh --version’ say? Elias -- Elias Assmann Wien2Wannier: maximally localized Wannier functions from linearized augmented plane waves http://wien2wannier.github.io/ https://github.com/wien2wannier/wien2wannier/ signature.asc Description: OpenPGP digital signature ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
