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 -------------- next part -------------- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20120605/497e525b/attachment.htm>