mirror of https://gitlab.com/QEF/q-e.git
forgot to clean environment_variables and EXX_example/run_example
before general commit git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@8066 c92efa57-630b-4861-b058-cf58834340f0
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@ -132,7 +132,7 @@ K_POINTS
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0.3750000 0.3750000 0.6250000 3.00
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0.3750000 0.3750000 0.6250000 3.00
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EOF
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EOF
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$ECHO " running the scf calculation for Si with nq = $nq ...\c"
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$ECHO " running the scf calculation for Si with nq = $nq ...\c"
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#$PW_COMMAND < si.in > si.PBE0_nq=${nq}.out
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$PW_COMMAND < si.in > si.PBE0_nq=${nq}.out
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$ECHO " done"
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$ECHO " done"
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grep -e ! si.PBE0_nq=${nq}.out | tail -1
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grep -e ! si.PBE0_nq=${nq}.out | tail -1
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@ -38,5 +38,5 @@ WGET="curl -o"
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# To run on a single processor, you can usually leave them empty.
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# To run on a single processor, you can usually leave them empty.
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#PARA_PREFIX="mpirun -np 2"
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#PARA_PREFIX="mpirun -np 2"
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PARA_PREFIX="mpirun -np 2 "
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PARA_PREFIX=" "
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PARA_POSTFIX=
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PARA_POSTFIX=
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