[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 $MPI_REMOTE" >>parallel_options
899c901,903
< if !("$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 = $input/" <vec2old_lapw >tmp
930a935,937
> echo " Changing hfpara_lapw"
> sed -e "s/set remote .*"'$'"/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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