Re: [Wien] System Error....Couldn't write to/.
That output file, case.outputd, as far as I know is not used an input to another calculation process. Thus, it seems safe to click the "initlapw without saving" button which would be another way to get around the "Couldn't write to /." error from "Save and initlapw" in this case. Although, if you are clicking the "initlapw without saving" or "Save and initlapw" button too quickly, you might have missed viewing the case.outputd to check if the condition gmax > gmin was meet. Proceeding with a gmin value less then gmax could affect your results. You didn't give the different file sizes of the case.outputd files for the BP, ZnSiP2 and other. I suspect the file sizes are smaller than the case.outptud files produced for the C24H72N8In2Br14 and C16H20O7. The TiC example in the usersguide [1] produces a case.outputd with a file size of about 21.8 kB. That is a small unit cell and one of the calculation cases when the error is not observed. The C16H20O7 has a relatively large unit cell [2] in comparison to that of TiC corresponding with the MB size case.outputd versus the kB one, respectively. Whether you get the error "Couldn't write to /." or not with C16H20O7 seems to also depend on the type of computer system(s) you are using (laptop, desktop, hpc? amount of RAM? SSD or HDD? how may CPU cores? using a virtual machine or not? Etc.). For running calculation with WIEN2k, you have probably noticed how a single desktop computer is good for small unit cells but when moving to large structures such as slabs it can push researchers into using a hpc (e.g., the Roadrunner [3]). At [4], you can probably see how there is quite a bit of difference in the computing ability and the computer resources between say a $1,700 desktop and a $101,000,000 Roadrunner computer system. [1] http://susi.theochem.tuwien.ac.at/reg_user/textbooks/usersguide.pdf [2] https://doi.org/10.1007/s00894-022-05340-3 [3] https://en.wikipedia.org/wiki/Roadrunner_(supercomputer) [4] https://insidehpc.com/2012/03/supercomputers-vs-your-computer-a-bang-for-the-buck-battle/ On 7/20/2023 10:23 PM, karina Khan wrote: Thank you for your response. I want to ask you that if I complete the process by clicking continue initlapw without saving will it affect my results as doing so I didn't find any error in scf convergence. One more thing this " System ErrorCouldn't write to/." didn't observe in other molecules like BP, ZnSiP2 and other. On Fri, 21 Jul, 2023, 8:14 AM Gavin Abo, wrote: On an older, slower computer system, I was able to reproduce the error displayed in w2web as: *System Error* Couldn't write to /. _back to last page_ To produce the error, what I did in w2web was 1) I clicked the "view case.outputd and cp case.in0_std case.in0" button, 2) paused about 5 seconds, and 3) clicked the "Save and initlapw" button. The file size of the case.outputd is 43.6 MB. I suspect the error results because my computer is slow in opening the case.outputd file where I clicked on the save button before the file got opened up. When I clicked "view case.klist" followed by clicking as fast as possible "Save and initlapw", I do not encounter the same error. The file size of case.klist, however, is only 101 bytes. I also 1) clicked the "view case.outputd and cp case.in0_std case.in0" button, 2) paused about 1 minute, and 3) clicked the "Save and initlapw" button. When doing that, the error did not occur. I put the 43.6 MB case.outputd on a new faster computer system clicking the "Save and initlapw" button immediately after having clicked the "view case.outputd and cp case.in0_std case.in0" button and the error do not appear. From that, it seems to be a computer system resource limitation that is causing the error. Kind Regards, Gavin WIEN2k user On 7/14/2023 4:59 AM, karina Khan wrote: Ok I will keep this thing in my mind for future This command works well with different systems like Cs2AgInBr6, BP but not with system having molecular formula C24H72N8In2Br14 and C16H20O7 On Thu, 13 Jul, 2023, 8:34 PM Peter Blaha, wrote: I cannot reproduce this. It works perfectly fine with me. Please try again in another case. Or use the recommended fast mode. This will set automatically good parameters in case.in0/1/2 and klist, and not the "stupid" defaults of the step by step initialization. PS: You cannot send large images to the mailing list. There is a limit of 40 kB per message. Am 13.07.2023 um 11:48 schrieb karina Khan: Dear Wien2k users, During initialisation, I stuck up in the step *view case.outpd and cp case.in0_std case.in0, *when I click on the step save and initlapw, I get a *System Error couldn't write to/. * back to last page.
Re: [Wien] System Error....Couldn't write to/.
Thank you for your response. I want to ask you that if I complete the process by clicking continue initlapw without saving will it affect my results as doing so I didn't find any error in scf convergence. One more thing this " System ErrorCouldn't write to/." didn't observe in other molecules like BP, ZnSiP2 and other. On Fri, 21 Jul, 2023, 8:14 AM Gavin Abo, wrote: > On an older, slower computer system, I was able to reproduce the error > displayed in w2web as: > > *System Error* > > Couldn't write to /. > > *back to last page* > > To produce the error, what I did in w2web was 1) I clicked the "view > case.outputd and cp case.in0_std case.in0" button, 2) paused about 5 > seconds, and 3) clicked the "Save and initlapw" button. > > The file size of the case.outputd is 43.6 MB. I suspect the error results > because my computer is slow in opening the case.outputd file where I > clicked on the save button before the file got opened up. > > When I clicked "view case.klist" followed by clicking as fast as possible > "Save and initlapw", I do not encounter the same error. The file size of > case.klist, however, is only 101 bytes. > > I also 1) clicked the "view case.outputd and cp case.in0_std case.in0" > button, 2) paused about 1 minute, and 3) clicked the "Save and initlapw" > button. When doing that, the error did not occur. > > I put the 43.6 MB case.outputd on a new faster computer system clicking > the "Save and initlapw" button immediately after having clicked the "view > case.outputd and cp case.in0_std case.in0" button and the error do not > appear. > > From that, it seems to be a computer system resource limitation that is > causing the error. > > Kind Regards, > Gavin > WIEN2k user > > On 7/14/2023 4:59 AM, karina Khan wrote: > > Ok I will keep this thing in my mind for future > This command works well with different systems like Cs2AgInBr6, BP but not > with system having molecular formula C24H72N8In2Br14 and C16H20O7 > > On Thu, 13 Jul, 2023, 8:34 PM Peter Blaha, > wrote: > >> I cannot reproduce this. It works perfectly fine with me. >> >> Please try again in another case. Or use the recommended fast mode. This >> will set automatically good parameters in case.in0/1/2 and klist, and not >> the "stupid" defaults of the step by step initialization. >> >> PS: You cannot send large images to the mailing list. There is a limit of >> 40 kB per message. >> >> >> Am 13.07.2023 um 11:48 schrieb karina Khan: >> >> Dear Wien2k users, >>During initialisation, I stuck up in the step *view >> case.outpd and cp case.in0_std case.in0, *when I click on the step save >> and initlapw, I get a *System Error couldn't write to/. * back to last >> page. >> However this step is working for the other sample but not for this new >> sample having 32 atoms. >> Looking for your suggestions >> *Thanks & Regards* >> *Karina Khan* >> >> >> ___ >> Wien mailing >> listw...@zeus.theochem.tuwien.ac.athttp://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 >> >> -- >> --- >> Peter Blaha, Inst. f. Materials Chemistry, TU Vienna, A-1060 Vienna >> Phone: +43-158801165300 >> Email: peter.bl...@tuwien.ac.at >> WWW: http://www.imc.tuwien.ac.at WIEN2k: http://www.wien2k.at >> - >> >> ___ > 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] System Error....Couldn't write to/.
On an older, slower computer system, I was able to reproduce the error displayed in w2web as: *System Error* Couldn't write to /. _back to last page_ To produce the error, what I did in w2web was 1) I clicked the "view case.outputd and cp case.in0_std case.in0" button, 2) paused about 5 seconds, and 3) clicked the "Save and initlapw" button. The file size of the case.outputd is 43.6 MB. I suspect the error results because my computer is slow in opening the case.outputd file where I clicked on the save button before the file got opened up. When I clicked "view case.klist" followed by clicking as fast as possible "Save and initlapw", I do not encounter the same error. The file size of case.klist, however, is only 101 bytes. I also 1) clicked the "view case.outputd and cp case.in0_std case.in0" button, 2) paused about 1 minute, and 3) clicked the "Save and initlapw" button. When doing that, the error did not occur. I put the 43.6 MB case.outputd on a new faster computer system clicking the "Save and initlapw" button immediately after having clicked the "view case.outputd and cp case.in0_std case.in0" button and the error do not appear. From that, it seems to be a computer system resource limitation that is causing the error. Kind Regards, Gavin WIEN2k user On 7/14/2023 4:59 AM, karina Khan wrote: Ok I will keep this thing in my mind for future This command works well with different systems like Cs2AgInBr6, BP but not with system having molecular formula C24H72N8In2Br14 and C16H20O7 On Thu, 13 Jul, 2023, 8:34 PM Peter Blaha, wrote: I cannot reproduce this. It works perfectly fine with me. Please try again in another case. Or use the recommended fast mode. This will set automatically good parameters in case.in0/1/2 and klist, and not the "stupid" defaults of the step by step initialization. PS: You cannot send large images to the mailing list. There is a limit of 40 kB per message. Am 13.07.2023 um 11:48 schrieb karina Khan: Dear Wien2k users, During initialisation, I stuck up in the step *view case.outpd and cp case.in0_std case.in0, *when I click on the step save and initlapw, I get a *System Error couldn't write to/. * back to last page. However this step is working for the other sample but not for this new sample having 32 atoms. Looking for your suggestions *Thanks & Regards* *Karina Khan* ___ 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 -- --- Peter Blaha, Inst. f. Materials Chemistry, TU Vienna, A-1060 Vienna Phone: +43-158801165300 Email:peter.bl...@tuwien.ac.at WWW:http://www.imc.tuwien.ac.at WIEN2k:http://www.wien2k.at - ___ 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] System Error....Couldn't write to/.
For C16H20O7, did you happen to use the cif from [1]? If so, I suppose you viewed it in xcrysden: username@computername:~/wiendata/1503927$ ls -l total 12 -rw-r--r-- 1 username username 10283 Jul 13 23:38 1503927.cif username@computername:~/wiendata/1503927$ cif2struct 1503927.cif T monoclinic username@computername:~/wiendata/1503927$ xcrysden --wien_struct 1503927.struct As you might have read in the mailing list archive such as at [2] and [3], you cannot have partial occupancies or overlapping atoms/spheres, respectively. For the overlapping spheres of C seen in xcrysden [4], how did you address that? Did you find and use a structure having different structure parameters? Did you change the structure into a supercell [5,6]? [1] http://crystallography.net/cod/1503927.html [2] https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg05079.html [3] https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg02997.html [4] https://drive.google.com/file/d/1eJnD8IYS5tlygaFpVBB5ZgYpZOnBvi77/view?usp=drive_link [5] https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg05007.html [6] https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg00226.html On 7/14/2023 4:59 AM, karina Khan wrote: Ok I will keep this thing in my mind for future This command works well with different systems like Cs2AgInBr6, BP but not with system having molecular formula C24H72N8In2Br14 and C16H20O7 On Thu, 13 Jul, 2023, 8:34 PM Peter Blaha, wrote: I cannot reproduce this. It works perfectly fine with me. Please try again in another case. Or use the recommended fast mode. This will set automatically good parameters in case.in0/1/2 and klist, and not the "stupid" defaults of the step by step initialization. PS: You cannot send large images to the mailing list. There is a limit of 40 kB per message. Am 13.07.2023 um 11:48 schrieb karina Khan: Dear Wien2k users, During initialisation, I stuck up in the step *view case.outpd and cp case.in0_std case.in0, *when I click on the step save and initlapw, I get a *System Error couldn't write to/. * back to last page. However this step is working for the other sample but not for this new sample having 32 atoms. Looking for your suggestions *Thanks & Regards* *Karina Khan* ___ 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 -- --- Peter Blaha, Inst. f. Materials Chemistry, TU Vienna, A-1060 Vienna Phone: +43-158801165300 Email:peter.bl...@tuwien.ac.at WWW:http://www.imc.tuwien.ac.at WIEN2k:http://www.wien2k.at - ___ 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___ 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] System Error....Couldn't write to/.
The OS is Linux and the script is in English. *Thanks & Regards* *Karina Khan* On Fri, 14 Jul 2023 at 16:50, Laurence Marks wrote: > I think Peter was clear. Wien2k works. > > The term "System Error" is exactly that, some error with your operating > system. Often these are caused by a user error, although it could be > something else. > > Try changing the name so it is shorter, and check your disk space. What OS > are you using - Linux, Mac - and is it set to English or some other script? > > --- > Professor Laurence Marks (Laurie) > Department of Materials Science and Engineering > Northwestern University > www.numis.northwestern.edu > "Research is to see what everybody else has seen, and to think what nobody > else has thought" Albert Szent-Györgyi > > On Fri, Jul 14, 2023, 05:59 karina Khan wrote: > >> Ok I will keep this thing in my mind for future >> This command works well with different systems like Cs2AgInBr6, BP but >> not with system having molecular formula C24H72N8In2Br14 and C16H20O7 >> >> On Thu, 13 Jul, 2023, 8:34 PM Peter Blaha, >> wrote: >> >>> I cannot reproduce this. It works perfectly fine with me. >>> >>> Please try again in another case. Or use the recommended fast mode. This >>> will set automatically good parameters in case.in0/1/2 and klist, and not >>> the "stupid" defaults of the step by step initialization. >>> >>> PS: You cannot send large images to the mailing list. There is a limit >>> of 40 kB per message. >>> >>> >>> Am 13.07.2023 um 11:48 schrieb karina Khan: >>> >>> Dear Wien2k users, >>>During initialisation, I stuck up in the step *view >>> case.outpd and cp case.in0_std case.in0, *when I click on the step save >>> and initlapw, I get a *System Error couldn't write to/. * back to last >>> page. >>> However this step is working for the other sample but not for this new >>> sample having 32 atoms. >>> Looking for your suggestions >>> *Thanks & Regards* >>> *Karina Khan* >>> >>> >>> ___ >>> Wien mailing >>> listw...@zeus.theochem.tuwien.ac.athttp://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 >>> >>> -- >>> --- >>> Peter Blaha, Inst. f. Materials Chemistry, TU Vienna, A-1060 Vienna >>> Phone: +43-158801165300 >>> Email: peter.bl...@tuwien.ac.at >>> WWW: http://www.imc.tuwien.ac.at WIEN2k: http://www.wien2k.at >>> - >>> >>> ___ >>> 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 >> > ___ > 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] System Error....Couldn't write to/.
I think Peter was clear. Wien2k works. The term "System Error" is exactly that, some error with your operating system. Often these are caused by a user error, although it could be something else. Try changing the name so it is shorter, and check your disk space. What OS are you using - Linux, Mac - and is it set to English or some other script? --- Professor Laurence Marks (Laurie) Department of Materials Science and Engineering Northwestern University www.numis.northwestern.edu "Research is to see what everybody else has seen, and to think what nobody else has thought" Albert Szent-Györgyi On Fri, Jul 14, 2023, 05:59 karina Khan wrote: > Ok I will keep this thing in my mind for future > This command works well with different systems like Cs2AgInBr6, BP but not > with system having molecular formula C24H72N8In2Br14 and C16H20O7 > > On Thu, 13 Jul, 2023, 8:34 PM Peter Blaha, > wrote: > >> I cannot reproduce this. It works perfectly fine with me. >> >> Please try again in another case. Or use the recommended fast mode. This >> will set automatically good parameters in case.in0/1/2 and klist, and not >> the "stupid" defaults of the step by step initialization. >> >> PS: You cannot send large images to the mailing list. There is a limit of >> 40 kB per message. >> >> >> Am 13.07.2023 um 11:48 schrieb karina Khan: >> >> Dear Wien2k users, >>During initialisation, I stuck up in the step *view >> case.outpd and cp case.in0_std case.in0, *when I click on the step save >> and initlapw, I get a *System Error couldn't write to/. * back to last >> page. >> However this step is working for the other sample but not for this new >> sample having 32 atoms. >> Looking for your suggestions >> *Thanks & Regards* >> *Karina Khan* >> >> >> ___ >> Wien mailing >> listw...@zeus.theochem.tuwien.ac.athttp://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 >> >> -- >> --- >> Peter Blaha, Inst. f. Materials Chemistry, TU Vienna, A-1060 Vienna >> Phone: +43-158801165300 >> Email: peter.bl...@tuwien.ac.at >> WWW: http://www.imc.tuwien.ac.at WIEN2k: http://www.wien2k.at >> - >> >> ___ >> 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 > ___ 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] System Error....Couldn't write to/.
Ok I will keep this thing in my mind for future This command works well with different systems like Cs2AgInBr6, BP but not with system having molecular formula C24H72N8In2Br14 and C16H20O7 On Thu, 13 Jul, 2023, 8:34 PM Peter Blaha, wrote: > I cannot reproduce this. It works perfectly fine with me. > > Please try again in another case. Or use the recommended fast mode. This > will set automatically good parameters in case.in0/1/2 and klist, and not > the "stupid" defaults of the step by step initialization. > > PS: You cannot send large images to the mailing list. There is a limit of > 40 kB per message. > > > Am 13.07.2023 um 11:48 schrieb karina Khan: > > Dear Wien2k users, >During initialisation, I stuck up in the step *view > case.outpd and cp case.in0_std case.in0, *when I click on the step save > and initlapw, I get a *System Error couldn't write to/. * back to last > page. > However this step is working for the other sample but not for this new > sample having 32 atoms. > Looking for your suggestions > *Thanks & Regards* > *Karina Khan* > > > ___ > Wien mailing > listw...@zeus.theochem.tuwien.ac.athttp://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 > > -- > --- > Peter Blaha, Inst. f. Materials Chemistry, TU Vienna, A-1060 Vienna > Phone: +43-158801165300 > Email: peter.bl...@tuwien.ac.at > WWW: http://www.imc.tuwien.ac.at WIEN2k: http://www.wien2k.at > - > > ___ > 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] System Error....Couldn't write to/.
I cannot reproduce this. It works perfectly fine with me. Please try again in another case. Or use the recommended fast mode. This will set automatically good parameters in case.in0/1/2 and klist, and not the "stupid" defaults of the step by step initialization. PS: You cannot send large images to the mailing list. There is a limit of 40 kB per message. Am 13.07.2023 um 11:48 schrieb karina Khan: Dear Wien2k users, During initialisation, I stuck up in the step *view case.outpd and cp case.in0_std case.in0, *when I click on the step save and initlapw, I get a *System Error couldn't write to/. * back to last page. However this step is working for the other sample but not for this new sample having 32 atoms. Looking for your suggestions *Thanks & Regards* *Karina Khan* ___ 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 -- --- Peter Blaha, Inst. f. Materials Chemistry, TU Vienna, A-1060 Vienna Phone: +43-158801165300 Email:peter.bl...@tuwien.ac.at WWW:http://www.imc.tuwien.ac.at WIEN2k:http://www.wien2k.at - ___ 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] System Error....Couldn't write to/.
We do not know what other errors have already occurred earlier, but a " *write to/.*" sounds very strange.* * In which directory is your case stored ? I would imagine that when creating the case in w2web, you already made a mistake when creating a new folder.* * Please report exact errors (with copy/paste). I cannot imagine that there is no space between "to" and "/." * * Am 13.07.2023 um 11:48 schrieb karina Khan: Dear Wien2k users, During initialisation, I stuck up in the step *view case.outpd and cp case.in0_std case.in0, *when I click on the step save and initlapw, I get a *System Error couldn't write to/. * back to last page. However this step is working for the other sample but not for this new sample having 32 atoms. Looking for your suggestions *Thanks & Regards* *Karina Khan* ___ 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 -- --- Peter Blaha, Inst. f. Materials Chemistry, TU Vienna, A-1060 Vienna Phone: +43-158801165300 Email:peter.bl...@tuwien.ac.at WWW:http://www.imc.tuwien.ac.at WIEN2k:http://www.wien2k.at - ___ 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
