[Wien] siteconfig Wien2k 12.1

Gavin Abo gsabo at crimson.ua.edu
Fri Sep 28 07:48:01 CEST 2012


Dear Prof. Blaha,

Attached, please find a patch containing another improvement to 
siteconfig_lapw for Wien2k 12.1.

For example, enter "rsh" for the remote shell, then run the script again 
and press enter with blank input to set it to the default "ssh".  The 
files such as vec2old_lapw will still be set to "rsh".

The attached patch fixes this by changing:

echo -n "     Remote shell (default is $remote) = "
set input = ($<)
if !("$input" == "") then
     cd $bin
     echo "     Changing lapw1para"
     sed -e "s/set remote .*"'$'"/set remote = $input/" <lapw1para_lapw >tmp
     ...
     wait
endif

to

echo -n "     Remote shell (default is $remote) = "
set input = ($<)
if ("$input" == "") then
     set input=$remote
endif
     cd $bin
     echo "     Changing lapw1para"
     sed -e "s/set remote .*"'$'"/set remote = $input/" <lapw1para_lapw >tmp
     ...
     wait

Best 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 $MPI_REMOTE" >>parallel_options
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< if !("$input" == "") then 
---
> if ("$input" == "") then
>  set input=$remote
> endif 
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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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< endif


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