You are absolutely right. $SCRATCH is not used consistently in x_lapw and opticpara
I'll add ${scratch} in front of all $case.symmat_$i$updn lines (and similar for other files) in opticpara_lapw. Am 05.06.2012 15:23, schrieb Gavin Abo: > Dear Prof. Blaha and Wien2k Developers, > > In lines 271-289 of opticpara_lapw (WIEN2k_11.1 Release 14/6/2011), should > ${scratch} be added in front of $case.symmat_$i$updn, $case.mommat_$i$updn, > $case.mat_diag_$i$updn, and > $case.mme_$i$updn? > > For example, ${scratch} seems to be given in the def file template of line > 807. The def file seems to be adjusted for parallel execution in line 154. > Then, later ${scratch} may be > missing when it goes to concatenate the parallel files (lines 271-289). > > $WIENROOT/x_lapw > > line 807: > 3, '${scratch}$file.symmat$updn' , 'UNKNOWN', 'FORMATTED', 0 > > $WIENROOT/opticpara_lapw > > line 154: > s/symmat/&_$i/w .mist > > lines 271-289: > set i = 1 > while ($i <= $maxproc) > if ( $i == 1 ) then > cat $case.symmat_$i$updn >> $case.symmat$updn > cat $case.mommat_$i$updn >> $case.mommat$updn > cat $case.mat_diag_$i$updn >> $case.mat_diag$updn > cat $case.mme_$i$updn >> $case.mme$updn > else > tail -n +2 $case.symmat_$i$updn >> $case.symmat$updn > tail -n +2 $case.mommat_$i$updn >> $case.mommat$updn > tail -n +2 $case.mat_diag_$i$updn >> $case.mat_diag$updn > tail -n +2 $case.mme_$i$updn >> $case.mme$updn > endif > rm $case.symmat_$i$updn > rm $case.mommat_$i$updn > rm $case.mat_diag_$i$updn > rm $case.mme_$i$updn > @ i ++ > end > > On 6/5/2012 5:11 AM, soumyajyoti haldar wrote: >> Dear Prof. Blaha and Wien2k Users >> >> I am also getting similar result. What may be the cause ? >> >> On Thu, May 31, 2012 at 4:58 PM, shahram solimanpour <shsolimanpour at >> gmail.com <mailto:shsolimanpour at gmail.com>> wrote: >> >> Dear P.Blaha and Wien2k Users, >> i want to calculate the optical properties using Wien2k_11. >> everything is ok, but when i execute 'x optic' commend, the following >> error has occurred: >> cat: BaSn.875Mn.symmat_1up: No such file or directory >> cat: BaSn.875Mn.mommat_1up: No such file or directory >> cat: BaSn.875Mn.mat_diag_1up: No such file or directory >> cat: BaSn.875Mn.mme_1up: No such file or directory >> rm: cannot remove `BaSn.875Mn.symmat_1up': No such file or directory . >> I'll appreciate it if you could assist me in this regrad and reply my >> email. >> >> Regards >> Shahram >> >> -- >> ?? ??? ?? ??? ??? ??? ?? ????? ??? ? >> ?? ???? ?? ?? ??? ?? ???? >> ??? ?? ???? ? ?? ??? ? ????? ??? >> /$h at hr@m <mailto:$h at hr@m>/ >> >> >> _______________________________________________ >> 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 >> >> >> >> >> -- >> Soumyajyoti Haldar, PhD Student >> >> Department of Physics and Astronomy, Materials Theory >> ?ngstr?m Laboratory, Office ?13235 | Uppsala University >> Box 516, SE-75120, Uppsala, SWEDEN >> >> Phone: (+46) 18 471 5860 >> Mobile: (+46) 070 0399 394 >> http://www.physics.uu.se/en/page/soumyajyoti-haldar >> >> >> _______________________________________________ >> 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 -- P.Blaha -------------------------------------------------------------------------- Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna Phone: +43-1-58801-165300 FAX: +43-1-58801-165982 Email: blaha at theochem.tuwien.ac.at WWW: http://info.tuwien.ac.at/theochem/ --------------------------------------------------------------------------