Dear Shruba, using wf_collect=.true., really solves this problem. thanks for your help
On Tue, Aug 11, 2009 at 9:42 AM, Bipul Rakshit <bipulrr at gmail.com> wrote: > Dear SB and GB, > thanks for your kind advice. Now and onwards I will remember the things and > will send the message to all of the forum people (unless there is some > specific reason) > > And sorry for act. > regards > > > On Mon, Aug 10, 2009 at 11:26 PM, Stefano Baroni <baroni at sissa.it> wrote: > >> Dear Bipul, dear all: >> please always consider that none of the people posting to this mailing >> list belong to any kind of "customer service". all of us are pleased to help >> when we can / feel like that ... none of us has to. so, please, refrain from >> sending private emails to members of the list, unless you have a specific >> reason to do so ... also, even if/when you get assistance precisely from >> exactlyy the same person you would address privately, when you address >> him/her on the mailing list, instead, you give others the possibility of >> learning at the same time you are learning. in conclusion, do use the list >> as much as possible ... >> >> SB >> >> >> >> On Aug 10, 2009, at 6:27 PM, Gabriele Sclauzero wrote: >> >> Dear Bipul, >> >> >> >> Bipul Rakshit wrote: >> >> Dear Gabriele Sclauzero, >> >> thanks for your kind reply. >> >> Since I am sending you the input, so i send you to your private mail. >> >> Please see the input and suggest me if there is anything wrong. >> >> >> I don't see any reason of sending the input files privately to me (unless >> you have >> specific reasons), since this is not in the open-source spirit of the >> forum and you will >> prevent other users from helping you. >> >> In your input files: >> >> &system >> occupations='smearing', smearing='methfessel-paxton', >> degauss=0.000073498 >> >> This value of degauss seems very low to me. Are you sure that you need it, >> and most >> important, have you converged w.r.t the number of k-points? >> >> >> &electrons >> conv_thr = 1.0d-5 >> >> this is too high, use the default or something lower. >> >> Anyway, I don't see any problem related to the I/O issue in your input >> files. You have to >> check if the nscf run completed successfully and wrote the wavefunctions >> to disk. The >> files may be corrupted due to an interrupted run or an hardware failure. >> You should also >> be careful when running on clusters with local scratch area (does it apply >> to your case?). >> Please provide more information about your compilation/HW-SW configuration >> and a full >> output file from DOS or PDOS calculation. >> >> GS >> >> >> >> >> On Mon, Aug 10, 2009 at 3:20 PM, Gabriele Sclauzero <sclauzer at sissa.it >> >> <mailto:sclauzer at sissa.it <sclauzer at sissa.it>>> wrote: >> >> >> >> >> Bipul Rakshit wrote: >> >> Dear PWSCF users, >> >> I am doing calculation of LaMnO3. When I try to do the projected >> >> density >> >> of states, then it shows the error >> >> >> Calling projwave .... >> >> >> >> >> >> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% >> >> from davcio : error # 10 >> >> error while reading from file >> >> >> >> >> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% >> >> >> stopping ... >> >> >> I have first done the scf, >> >> nscf >> >> dos.x >> >> then projwfc.x >> >> >> kindly help me in this regard >> >> >> First check if all the files containing the wavefunctions >> >> (outdir/prefix.wfc*) are present >> >> and are not corrupted. >> >> If so, please give more details (i.e. input files). If not, rerun >> >> scf and nscf steps. >> >> >> Regards >> >> >> GS >> >> >> -- >> >> >> o ------------------------------------------------ o >> | Gabriele Sclauzero, PhD Student | >> | c/o: SISSA & CNR-INFM Democritos, | >> | via Beirut 2-4, 34014 Trieste (Italy) | >> | email: sclauzer at sissa.it | >> | phone: +39 040 3787 511 | >> | skype: gurlonotturno | >> o ------------------------------------------------ o >> _______________________________________________ >> Pw_forum mailing list >> Pw_forum at pwscf.org >> http://www.democritos.it/mailman/listinfo/pw_forum >> >> >> --- >> Stefano Baroni - SISSA & DEMOCRITOS National Simulation Center - >> Trieste >> http://stefano.baroni.me [+39] 040 3787 406 (tel) -528 (fax) / >> stefanobaroni (skype) >> >> La morale est une logique de l'action comme la logique est une morale de >> la pens?e - Jean Piaget >> >> Please, if possible, don't send me MS Word or PowerPoint attachments >> Why? See: http://www.gnu.org/philosophy/no-word-attachments.html >> >> >> >> >> >> >> >> >> _______________________________________________ >> Pw_forum mailing list >> Pw_forum at pwscf.org >> http://www.democritos.it/mailman/listinfo/pw_forum >> >> > > > -- > Dr. Bipul Rakshit > Research Associate, > S N Bose Centre for Basic Sciences, > Salt Lake, > Kolkata 700 098 > India > -- Dr. Bipul Rakshit Research Associate, S N Bose Centre for Basic Sciences, Salt Lake, Kolkata 700 098 India -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20090811/688d5cb9/attachment.htm
