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15 lines
226 B
Text
15 lines
226 B
Text
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#QSUB -o biphenyl.032
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#QSUB -eo
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#QSUB -l mpp_p=32
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#QSUB -l mpp_t=10000
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#
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#
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#
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setenv RUNDIR /u/nwchem/wong/atw/biphenyl
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setenv NWCHEM_EXE /afs/nersc.gov/u/nwchem/wong/nw/nwchem
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#
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#
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#
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cd $RUNDIR
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$NWCHEM_EXE -npes 32 biphenyl.nw
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