[Wien] siteconfig Wien2k 12.1

Gavin Abo gsabo at crimson.ua.edu
Fri Sep 28 04:00:04 CEST 2012


Dear Prof. Blaha,

The TASKSET for Wien2k 12.1 is not written in the parallel_options 
file.  The two STDOUT redirects to file for USE_REMOTE in 
siteconfig_lapw can be changed from > to the file append >>.  Attached 
is my revised patch file.

Kind Regards,

Gavin
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> if !($input == "y" || $input == "Y") then
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<   set MPI_REMOTE=1 
< if !("$input2" == "0" ) then 
<   set MPI_REMOTE="$input2 "
---
>   set MPI_REMOTE=0 
> if ("$input2" == "1" ) then 
>   set MPI_REMOTE=$input2
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> endif
> 
> echo 'setenv TASKSET "'$TASKSET'"' >parallel_options
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< 	  echo 'setenv TASKSET "'$TASKSET'"' >parallel_options
< 	  echo "setenv USE_REMOTE 0" >parallel_options
< 	  echo 'setenv MPI_REMOTE "'$MPI_REMOTE'"' >>parallel_options
---
> 	  echo "setenv USE_REMOTE 0" >>parallel_options
> 	  echo "setenv MPI_REMOTE 0" >>parallel_options
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< 	  echo 'setenv TASKSET "'$TASKSET'"' >parallel_options
< 	  echo "setenv USE_REMOTE 1" >parallel_options
< 	  echo "setenv MPI_REMOTE 1" >>parallel_options
---
> 	  echo "setenv USE_REMOTE 1" >>parallel_options
> 	  echo "setenv MPI_REMOTE $MPI_REMOTE" >>parallel_options
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<     sed -e "s/set remote.*"'$'"/set remote = $input/" <vec2old_lapw >tmp
---
>     sed -e "s/set remote .*"'$'"/set remote = $input/" <vec2old_lapw >tmp
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>     echo "     Changing hfpara_lapw" 
>     sed -e "s/set remote .*"'$'"/set remote = $input/" <hfpara_lapw >tmp
>     mv tmp hfpara_lapw
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>     chmod +x hfpara_lapw


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