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https://github.com/nwchemgit/nwchem.git
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fixed coupel of bugs when filename was supplied
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parent
be9bb0d948
commit
9f80ea1788
1 changed files with 12 additions and 7 deletions
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@ -44,7 +44,10 @@ set NPROC = 1
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set NTASK = 1
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set NNODE = 1
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set QUEUE = batch
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set ACCOUNT = " "
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set MDON = "n"
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set HOST = "SP"
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#set ACCOUNT = " "
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set ACCOUNT = $MP_ACCOUNT
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#if ($?ACCOUNT_NO) then
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# set ACCOUNT = $ACCOUNT_NO
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#endif
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@ -124,9 +127,9 @@ if ($#argv == 0) then
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set TIME = "$<"
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if ("$TIME" == "") set TIME = "1:00:00"
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echo -n "Account to charge: "
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set TEST = "$<"
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set ACCOUNT = "$TEST"
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echo -n "Account to charge: ("$MP_ACCOUNT")"
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set ACCOUNT = "$<"
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if ("$ACCOUNT" == "") set ACCOUNT = $MP_ACCOUNT
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echo -n "Load Leveller queue ($QUEUE): "
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set TEST = "$<"
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@ -313,7 +316,7 @@ cat <<EOF1 > $LLJOB
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# @ error = $LLERR
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# @ wall_clock_limit = $TIME
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# @ cpu_limit = $TIME
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# @ account = $ACCOUNT
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# @ account_no = $ACCOUNT
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# @ notification = complete
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EOF1
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if ("$HOST" == "SP") then
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@ -423,6 +426,8 @@ cat <<EOF5 >> $LLJOB
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cat << EOFcat > poe.commands
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EOF5
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endif
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echo "zzzzzzzzzzzzzzzzzzzzzzzz"
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if ("$HOST" == "SP") then
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cat <<EOFt8 >> $LLJOB
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/u2/nwchem/bin/copyexe $SCRATCHDIR/nwchem
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@ -472,7 +477,7 @@ llsubmit $LLJOB
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# exit 1
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#endif
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llq
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llq
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############################################################################
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# Touch the output file so that subsequent job submissions
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@ -503,7 +508,7 @@ interrupted:
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usage:
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echo " llnw usage: "
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echo " 1) use with no arguments for interactive prompts"
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echo " 2) llnw filename [-accnt accnt_no] [-procs nproc] [-tasks ntask] [-nnodes nnode]"
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echo " 2) llnw filename [-accnt accnt_no] [-nprocs nproc] [-tasks ntask] [-nnodes nnode]"
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echo " [-queue queue] [-time time] [-mdon y/n]"
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echo " 3) llnw -help ... prints this information"
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echo " "
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