[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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