Révision 12 examples/Gaussian/SN2_mixed/run_Path

run_Path (revision 12)
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#
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# Where is Path.exe ??
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#
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PathExe=~/Programs/Chemin/OpenPath/src/Path.exe
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PathExe=../../../src/Path.exe
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#
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### Gaussian Stuff
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# Change the path for g09root !!!
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export g09root=/home/pfleura2/G09
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export g09root=/home/pfleura2/Programs/G09
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export  GAUSS_SCRDIR=/tmp
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source $g09root/g09/bsd/g09.profile
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export LD_LIBRARY_PATH=$LD_LIBRARY_PATH:/opt/intel/lib/
......
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###############################
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ln -fs ${PathExe} .
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./Path.exe ${Job}.path &> ${Job}.out


  		





  
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./Path.exe ${Job}.path > ${Job}.out 2> ${Job}.err


  		





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