Dear Prof P.Blaha and Users i again run one more iteration as you said me. i used k-parallel execution.? but the again same problem occured again ? running LAPW2 in parallel mode calculating QTL's from parallel vectors mv: cannot stat `super-sp.vectorup_1': No such file or directory mv: cannot stat `super-sp.vectorup_2': No such file or directory L2main - Error 0.464u 0.044s 0:00.59 84.7% 0+0k 0+1824io 0pf+0w ? But the problem is this ? firstly, after scf i have these vector files ? ? hashumi at spin4:~/WIEN2k/Fe2O3-sp/super-sp> ls -alsrt *vec* ???? 0 -rw-r--r-- 1 hashumi users???????? 0 2010-10-02 19:39 super-sp.vec 888700 -rw-r--r-- 1 hashumi users 909133588 2010-10-10 03:30 super-sp.vectorup 355392 -rw-r--r-- 1 hashumi users 363560875 2010-10-10 04:08 super-sp.vectordn ?50700 -rw-r--r-- 1 hashumi users? 51856189 2010-10-10 04:38 super-sp.vectorup_3 ?51168 -rw-r--r-- 1 hashumi users? 52338337 2010-10-10 04:38 super-sp.vectorup_2 ?50304 -rw-r--r-- 1 hashumi users? 51451533 2010-10-10 04:38 super-sp.vectorup_6 ?50468 -rw-r--r-- 1 hashumi users? 51618481 2010-10-10 04:38 super-sp.vectorup_4 ?51548 -rw-r--r-- 1 hashumi users? 52725825 2010-10-10 04:38 super-sp.vectorup_1 ?50136 -rw-r--r-- 1 hashumi users? 51278405 2010-10-10 04:39 super-sp.vectorup_14 ?50380 -rw-r--r-- 1 hashumi users? 51530425 2010-10-10 04:39 super-sp.vectorup_10 ?50560 -rw-r--r-- 1 hashumi users? 51713165 2010-10-10 04:39 super-sp.vectorup_12 ?50220 -rw-r--r-- 1 hashumi users? 51365593 2010-10-10 04:39 super-sp.vectorup_15 ?50488 -rw-r--r-- 1 hashumi users? 51639889 2010-10-10 04:39 super-sp.vectorup_5 ?50048 -rw-r--r-- 1 hashumi users? 51188773 2010-10-10 04:39 super-sp.vectorup_16 ?50492 -rw-r--r-- 1 hashumi users? 51643613 2010-10-10 04:39 super-sp.vectorup_9 ?50944 -rw-r--r-- 1 hashumi users? 52105309 2010-10-10 04:39 super-sp.vectorup_7 ?50688 -rw-r--r-- 1 hashumi users? 51844201 2010-10-10 04:39 super-sp.vectorup_8 ?50388 -rw-r--r-- 1 hashumi users? 51538417 2010-10-10 04:39 super-sp.vectorup_13 ?50428 -rw-r--r-- 1 hashumi users? 51579165 2010-10-10 04:39 super-sp.vectorup_11 ?10024 -rw-r--r-- 1 hashumi users? 10245085 2010-10-10 04:40 super-sp.vectorup_20 ? 9988 -rw-r--r-- 1 hashumi users? 10207869 2010-10-10 04:40 super-sp.vectorup_18 ?10040 -rw-r--r-- 1 hashumi users? 10261005 2010-10-10 04:40 super-sp.vectorup_17 ?10056 -rw-r--r-- 1 hashumi users? 10276925 2010-10-10 04:40 super-sp.vectorup_21 ? 9984 -rw-r--r-- 1 hashumi users? 10203905 2010-10-10 04:40 super-sp.vectorup_19 ?10000 -rw-r--r-- 1 hashumi users? 10219761 2010-10-10 04:40 super-sp.vectorup_22 ?10036 -rw-r--r-- 1 hashumi users? 10257025 2010-10-10 04:40 super-sp.vectorup_23 ?10024 -rw-r--r-- 1 hashumi users? 10245085 2010-10-10 04:40 super-sp.vectorup_24 ?51168 -rw-r--r-- 1 hashumi users? 52338337 2010-10-10 04:51 super-sp.vectordn_2 ?50700 -rw-r--r-- 1 hashumi users? 51856189 2010-10-10 04:51 super-sp.vectordn_3 ?51548 -rw-r--r-- 1 hashumi users? 52725825 2010-10-10 04:51 super-sp.vectordn_1 ?50944 -rw-r--r-- 1 hashumi users? 52105309 2010-10-10 04:51 super-sp.vectordn_7 ?50380 -rw-r--r-- 1 hashumi users? 51530425 2010-10-10 04:51 super-sp.vectordn_10 ?50468 -rw-r--r-- 1 hashumi users? 51618481 2010-10-10 04:51 super-sp.vectordn_4 ?50688 -rw-r--r-- 1 hashumi users? 51844201 2010-10-10 04:51 super-sp.vectordn_8 ?50388 -rw-r--r-- 1 hashumi users? 51538417 2010-10-10 04:51 super-sp.vectordn_13 ?50492 -rw-r--r-- 1 hashumi users? 51643613 2010-10-10 04:51 super-sp.vectordn_9 ?50136 -rw-r--r-- 1 hashumi users? 51278405 2010-10-10 04:51 super-sp.vectordn_14 ?50560 -rw-r--r-- 1 hashumi users? 51713165 2010-10-10 04:51 super-sp.vectordn_12 ?50428 -rw-r--r-- 1 hashumi users? 51579165 2010-10-10 04:51 super-sp.vectordn_11 ?50488 -rw-r--r-- 1 hashumi users? 51639889 2010-10-10 04:51 super-sp.vectordn_5 ?50048 -rw-r--r-- 1 hashumi users? 51188773 2010-10-10 04:51 super-sp.vectordn_16 ?50220 -rw-r--r-- 1 hashumi users? 51365593 2010-10-10 04:51 super-sp.vectordn_15 ?50304 -rw-r--r-- 1 hashumi users? 51451533 2010-10-10 04:51 super-sp.vectordn_6 ?10040 -rw-r--r-- 1 hashumi users? 10261005 2010-10-10 04:52 super-sp.vectordn_17 ? 9988 -rw-r--r-- 1 hashumi users? 10207869 2010-10-10 04:52 super-sp.vectordn_18 ? 9984 -rw-r--r-- 1 hashumi users? 10203905 2010-10-10 04:52 super-sp.vectordn_19 ?10024 -rw-r--r-- 1 hashumi users? 10245085 2010-10-10 04:52 super-sp.vectordn_20 ?10056 -rw-r--r-- 1 hashumi users? 10276925 2010-10-10 04:52 super-sp.vectordn_21 ?10000 -rw-r--r-- 1 hashumi users? 10219761 2010-10-10 04:52 super-sp.vectordn_22 ?10024 -rw-r--r-- 1 hashumi users? 10245085 2010-10-10 04:52 super-sp.vectordn_24 ?10036 -rw-r--r-- 1 hashumi users? 10257025 2010-10-10 04:52 super-sp.vectordn_23
when i calculate DOS, click on x lapw2 -p -up -qtl,? after this all up files change into old files, and after that i have these files ? hashumi at spin4:~/WIEN2k/Fe2O3-sp/super-sp> ls -alsrt *vec* ???? 0 -rw-r--r-- 1 hashumi users???????? 0 2010-10-02 19:39 super-sp.vec 888700 -rw-r--r-- 1 hashumi users 909133588 2010-10-10 03:30 super-sp.vectorup 355392 -rw-r--r-- 1 hashumi users 363560875 2010-10-10 04:08 super-sp.vectordn ?50700 -rw-r--r-- 1 hashumi users? 51856189 2010-10-10 04:38 super-sp.vectorup_3.old ?51168 -rw-r--r-- 1 hashumi users? 52338337 2010-10-10 04:38 super-sp.vectorup_2.old ?50304 -rw-r--r-- 1 hashumi users? 51451533 2010-10-10 04:38 super-sp.vectorup_6.old ?50468 -rw-r--r-- 1 hashumi users? 51618481 2010-10-10 04:38 super-sp.vectorup_4.old ?51548 -rw-r--r-- 1 hashumi users? 52725825 2010-10-10 04:38 super-sp.vectorup_1.old ?50136 -rw-r--r-- 1 hashumi users? 51278405 2010-10-10 04:39 super-sp.vectorup_14.old ?50380 -rw-r--r-- 1 hashumi users? 51530425 2010-10-10 04:39 super-sp.vectorup_10.old ?50560 -rw-r--r-- 1 hashumi users? 51713165 2010-10-10 04:39 super-sp.vectorup_12.old ?50220 -rw-r--r-- 1 hashumi users? 51365593 2010-10-10 04:39 super-sp.vectorup_15.old ?50488 -rw-r--r-- 1 hashumi users? 51639889 2010-10-10 04:39 super-sp.vectorup_5.old ?50048 -rw-r--r-- 1 hashumi users? 51188773 2010-10-10 04:39 super-sp.vectorup_16.old ?50492 -rw-r--r-- 1 hashumi users? 51643613 2010-10-10 04:39 super-sp.vectorup_9.old ?50944 -rw-r--r-- 1 hashumi users? 52105309 2010-10-10 04:39 super-sp.vectorup_7.old ?50688 -rw-r--r-- 1 hashumi users? 51844201 2010-10-10 04:39 super-sp.vectorup_8.old ?50388 -rw-r--r-- 1 hashumi users? 51538417 2010-10-10 04:39 super-sp.vectorup_13.old ?50428 -rw-r--r-- 1 hashumi users? 51579165 2010-10-10 04:39 super-sp.vectorup_11.old ?10024 -rw-r--r-- 1 hashumi users? 10245085 2010-10-10 04:40 super-sp.vectorup_20.old ? 9988 -rw-r--r-- 1 hashumi users? 10207869 2010-10-10 04:40 super-sp.vectorup_18.old ?10040 -rw-r--r-- 1 hashumi users? 10261005 2010-10-10 04:40 super-sp.vectorup_17.old ?10056 -rw-r--r-- 1 hashumi users? 10276925 2010-10-10 04:40 super-sp.vectorup_21.old ? 9984 -rw-r--r-- 1 hashumi users? 10203905 2010-10-10 04:40 super-sp.vectorup_19.old ?10000 -rw-r--r-- 1 hashumi users? 10219761 2010-10-10 04:40 super-sp.vectorup_22.old ?10036 -rw-r--r-- 1 hashumi users? 10257025 2010-10-10 04:40 super-sp.vectorup_23.old ?10024 -rw-r--r-- 1 hashumi users? 10245085 2010-10-10 04:40 super-sp.vectorup_24.old ?51168 -rw-r--r-- 1 hashumi users? 52338337 2010-10-10 04:51 super-sp.vectordn_2 ?50700 -rw-r--r-- 1 hashumi users? 51856189 2010-10-10 04:51 super-sp.vectordn_3 ?51548 -rw-r--r-- 1 hashumi users? 52725825 2010-10-10 04:51 super-sp.vectordn_1 ?50944 -rw-r--r-- 1 hashumi users? 52105309 2010-10-10 04:51 super-sp.vectordn_7 ?50380 -rw-r--r-- 1 hashumi users? 51530425 2010-10-10 04:51 super-sp.vectordn_10 ?50468 -rw-r--r-- 1 hashumi users? 51618481 2010-10-10 04:51 super-sp.vectordn_4 ?50688 -rw-r--r-- 1 hashumi users? 51844201 2010-10-10 04:51 super-sp.vectordn_8 ?50388 -rw-r--r-- 1 hashumi users? 51538417 2010-10-10 04:51 super-sp.vectordn_13 ?50492 -rw-r--r-- 1 hashumi users? 51643613 2010-10-10 04:51 super-sp.vectordn_9 ?50136 -rw-r--r-- 1 hashumi users? 51278405 2010-10-10 04:51 super-sp.vectordn_14 ?50560 -rw-r--r-- 1 hashumi users? 51713165 2010-10-10 04:51 super-sp.vectordn_12 ?50428 -rw-r--r-- 1 hashumi users? 51579165 2010-10-10 04:51 super-sp.vectordn_11 ?50488 -rw-r--r-- 1 hashumi users? 51639889 2010-10-10 04:51 super-sp.vectordn_5 ?50048 -rw-r--r-- 1 hashumi users? 51188773 2010-10-10 04:51 super-sp.vectordn_16 ?50220 -rw-r--r-- 1 hashumi users? 51365593 2010-10-10 04:51 super-sp.vectordn_15 ?50304 -rw-r--r-- 1 hashumi users? 51451533 2010-10-10 04:51 super-sp.vectordn_6 ?10040 -rw-r--r-- 1 hashumi users? 10261005 2010-10-10 04:52 super-sp.vectordn_17 ? 9988 -rw-r--r-- 1 hashumi users? 10207869 2010-10-10 04:52 super-sp.vectordn_18 ? 9984 -rw-r--r-- 1 hashumi users? 10203905 2010-10-10 04:52 super-sp.vectordn_19 ?10024 -rw-r--r-- 1 hashumi users? 10245085 2010-10-10 04:52 super-sp.vectordn_20 ?10056 -rw-r--r-- 1 hashumi users? 10276925 2010-10-10 04:52 super-sp.vectordn_21 ?10000 -rw-r--r-- 1 hashumi users? 10219761 2010-10-10 04:52 super-sp.vectordn_22 ?10024 -rw-r--r-- 1 hashumi users? 10245085 2010-10-10 04:52 super-sp.vectordn_24 ?10036 -rw-r--r-- 1 hashumi users? 10257025 2010-10-10 04:52 super-sp.vectordn_23 ???? 0 -rw-r--r-- 1 hashumi users???????? 0 2010-10-10 06:13 super-sp.vectorsoup ? Please all give your kind concentration and kindly tell me how can i solve this matter. i will be very grateful to you. ? Thanks and Regards Arqum Hashmi ________________________________ From: Peter Blaha <[email protected]> To: A Mailing list for WIEN2k users <wien at zeus.theochem.tuwien.ac.at> Sent: Wednesday, February 15, 2012 4:24 AM Subject: Re: [Wien] plz help So everything is clear:? You need super-sp.vectorup/dn, but you have only super-sp.vectorup_old. Since the date of your computer shows 2010 ?? I cannot judge if the vector_old files are recent or not. They are created during? ? ? run_lapw -it , but usually just before the lapw1 step. Eventually you can use old2vec, but as I said, I've no idea if these vector files are ok. Otherwise run one more iteration..... > The super-sp.vec, super-sp.vectorup, super-sp.vectordn files are zero > but the super-sp.vectorup_2.old, super-sp.vectorup_1.old, > super-sp.vectordn_2.old, super-sp.vectordn_1.old are present and non-zero. > > the out put of ls -alsrt *vec* is > > 0 -rw-r--r-- 1 hashumi users 0 2010-10-02 19:39 super-sp.vec > 0 -rw-r--r-- 1 hashumi users 0 2010-10-02 21:15 super-sp.vectorup > 0 -rw-r--r-- 1 hashumi users 0 2010-10-02 21:19 super-sp.vectordn > 442356 -rw-r--r-- 1 hashumi users 452522104 2010-10-05 12:53 > super-sp.vectorup_2.old > 446596 -rw-r--r-- 1 hashumi users 456859756 2010-10-05 12:53 > super-sp.vectorup_1.old > 442356 -rw-r--r-- 1 hashumi users 452522104 2010-10-05 13:41 > super-sp.vectordn_2.old > 446596 -rw-r--r-- 1 hashumi users 456859756 2010-10-05 13:41 > super-sp.vectordn_1.old > > Kindly tell me what can i do to solve this problem. > > i will be very grateful to you. > > Thanks and Regrads > Arqum Hashmi > > ------------------------------------------------------------------------ > *From:* Peter Blaha <pblaha at theochem.tuwien.ac.at> > *To:* A Mailing list for WIEN2k users <wien at zeus.theochem.tuwien.ac.at> > *Sent:* Tuesday, February 14, 2012 4:17 AM > *Subject:* Re: [Wien] plz help > > cat uplapw2.def > > Is there a $SCRATCH defined ? > > ls -alsrt *vec* are the vector files: new, non-zero,... ? > > Am 14.02.2012 12:53, schrieb arqum hashmi: >? > Dear Users >? > i am calculating the AFM Fe2O3. i run spin polarized and parallel >? > calculation. after Scf caclulation. >? > when i calculate DOS, click on *x lapw2 -p -up -qtl >? > * >? > *i t gives this error* >? > >? > running LAPW2 in parallel mode >? > calculating QTL's from parallel vectors >? > mv: cannot stat `super-sp.vectorup_1': No such file or directory >? > mv: cannot stat `super-sp.vectorup_2': No such file or directory >? > L2main - Error >? > 0.436u 0.048s 0:00.54 87.0% 0+0k 0+1864io 0pf+0w >? > >? > what is this error although these two files are present there.when i >? > see error file /home/hashumi/WIEN2k/Fe2O3-sp/super-sp/uplapw2.error >? > it gives this >? > >? > Error in LAPW2 >? > 'l2main' - error reading parallel vectors >? > >? > >? > Please guide me why this error occured and how can i solve it. >? > >? > i will be very grateful to you. >? > >? > Thanks and Regards >? > Arqum Hashmi >? > >? > >? > >? > >? > _______________________________________________ >? > 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 > > -- > Peter Blaha > Inst.Materials Chemistry > TU Vienna > Getreidemarkt 9 > A-1060 Vienna > Austria > +43-1-5880115671 > _______________________________________________ > 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 -- Peter Blaha Inst.Materials Chemistry TU Vienna Getreidemarkt 9 A-1060 Vienna Austria +43-1-5880115671 _______________________________________________ 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... 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