[Wien] Joining mommat2_* files

[Peter Blaha]

It should work, if you remove the comments.

They are commented because mommats are not generated in a default optics 
run and I was too lazy to handle this properly.

Am 19.02.2013 13:31, schrieb Elias Assmann:
> Dear List,
>
> I would like to join optic's mommat2_* files from a parallel run into
> a single mommat2 file as from a single-processor run.  To this end, can
> somebody tell me how the parallel files are related to the single
> file?  I cannot seem to figure it out.
>
> Here is an example (just one data point):
>
>               Nb1          Nb2          Re x         Im x         Re y
>         Im y
> mommat2_1:   2.1000e+01   2.2000e+01   4.4492e-17   1.5245e-11
> 1.5082e-11  -1.0270e-13
> mommat2_2:   2.1000e+01   2.2000e+01   1.7002e-15   1.5248e-11
> 1.1791e-07   1.4978e-11
> mommat2_3:   2.1000e+01   2.2000e+01   1.9808e-04   8.9362e-09
> 9.5944e-09   1.8848e-14
> mommat2_4:   2.1000e+01   2.2000e+01  -1.5247e-11   1.1789e-07
> 1.5321e-15   1.0723e-13
>
> mommat2  :   2.1000e+01   2.2000e+01   2.1545e-17   1.5245e-11
> 2.6584e-16   1.4979e-11
>
> In opticpara, I notice that there are some lines for concatenating the
> mommat2_'s, but they are commented out:
>
>      # concatenating the case.symmat files and case.mommat files
>
>      ...
>
>      set i = 1
>      while ($i <= $maxproc)
>       if ( $i == 1 ) then
>      #    testinput $case.symmat_$i$updn scratchwarning
>          cat ${scratch}$case.symmat_$i$updn    >>
> ${scratch}$case.symmat$updn
>      #    cat ${scratch}$case.mommat2_$i$updn   >>
> ${scratch}$case.mommat2$updn
>          cat ${scratch}$case.mat_diag_$i$updn  >>
> ${scratch}$case.mat_diag$updn
>          cat ${scratch}$case.mme_$i$updn  >>  ${scratch}$case.mme$updn
>       else
>          tail -n +2  ${scratch}$case.symmat_$i$updn   >>
> ${scratch}$case.symmat$updn
>      #    tail -n +2  ${scratch}$case.mommat2_$i$updn   >>
> ${scratch}$case.mommat2$updn
>          tail -n +2  ${scratch}$case.mat_diag_$i$updn >>
> ${scratch}$case.mat_diag$updn
>          tail -n +2  ${scratch}$case.mme_$i$updn >>
> ${scratch}$case.mme$updn
>       endif
>       ...
>      end
>
>
> Thank you,
>
>      Elias Assmann
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-- 
Peter Blaha
Inst.Materials Chemistry
TU Vienna
Getreidemarkt 9
A-1060 Vienna
Austria
+43-1-5880115671