Revision 5
examples/Test/Zmat/run_Path (revision 5) | ||
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#!/bin/bash |
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###################################### |
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# |
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# you might have to change the following variables |
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###################################### |
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# |
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# Name of the input file |
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Job=HCN_zmat |
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# |
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# Where is Path.exe ?? |
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# |
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PathExe=../../../src/Path.exe |
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# |
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# Some libraries... that might need to be adapted to your system |
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# |
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export LD_LIBRARY_PATH=$LD_LIBRARY_PATH:/opt/intel/lib/ |
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export LD_LIBRARY_PATH=$LD_LIBRARY_PATH:/opt/intel/fc/9.1.037/lib/:/opt/intel/cc/9.1.045/lib:/usr/lib:/opt/intel/mkl/8.1/lib/32 |
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export PATH=/opt/intel/fc/9.1.037/bin/:/opt/intel/cc/9.1.045/bin/:$PATH:$HOME/bin:/usr/local/mpich-intel9/bin |
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export LD_RUN_PATH=$LD_RUN_PATH:/opt/intel/fc/9.1.037/lib/:/opt/intel/cc/9.1.045/lib |
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export MANPATH=$MANPATH:/opt/intel/fc/9.1.037/man/:/opt/intel/cc/9.1.045/man |
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export LANG=C |
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# |
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#Usually nothing has to be changed after this line |
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# |
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################################################# |
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############################### |
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# |
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# We launch PATH |
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# |
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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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