[Wien] Joining mommat2_* files

2013-02-19 Thread 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


[Wien] Joining mommat2_* files

2013-02-19 Thread 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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