478 lines
15 KiB
Diff
478 lines
15 KiB
Diff
![]() |
---
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+++
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@@ -136,6 +136,11 @@
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# is created. For job running in the background, the log #
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# file is always created. Default is "yes" #
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##############################################################################
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+# remove all Mentat paths from LD_LIBRARY_PATH
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+LD_LIBRARY_PATH=:$LD_LIBRARY_PATH:
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+LD_LIBRARY_PATH=${LD_LIBRARY_PATH//+([!(:)])mentat2023.2+([!(:)])/:}
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+LD_LIBRARY_PATH=${LD_LIBRARY_PATH//+([(:)])/:}
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+LD_LIBRARY_PATH=${LD_LIBRARY_PATH#:}; LD_LIBRARY_PATH=${LD_LIBRARY_PATH%:}
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# set DIR to the directory in which this script is
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REALCOM="`/bin/ls -l $0 |awk '{ print $NF; }'`"
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DIR=`dirname $REALCOM`
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@@ -303,7 +308,23 @@
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. "$DIR/getarch"
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+
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+# getting user subroutine file name
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+found=0
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+for i in "$@"; do
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+ if test $found = 1; then
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+ DAMASK_USER=$i
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+ found=0
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+ fi
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+ case $i in
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+ -u* | -U*)
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+ found=1
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+ ;;
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+ esac
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+done
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+# sourcing include_linux64 (needs DAMASK_USER to be set)
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. $MARC_INCLUDE
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+
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#
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#
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@@ -406,7 +427,7 @@
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did=
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vid=
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user=
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-usersubname=
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+usernoext=
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objs=
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qid=background
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cpu=
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@@ -677,50 +698,19 @@
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esac
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;;
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-u* | -U*)
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- user=`dirname $value`/`$BASENAME $value .f`
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- usersubname=$user
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- basefile=`$BASENAME $value`
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- if test ${basefile##*.} = f
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- then
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- user=`dirname $value`/`$BASENAME $value .f`
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- usersubname=$user.f
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- elif test ${basefile##*.} = F
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- then
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- user=`dirname $value`/`$BASENAME $value .F`
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- usersubname=$user.F
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- elif test ${basefile##*.} = f90
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- then
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- user=`dirname $value`/`$BASENAME $value .f90`
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- usersubname=$user.f90
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- elif test ${basefile##*.} = F90
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- then
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- user=`dirname $value`/`$BASENAME $value .F90`
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- usersubname=$user.F90
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- fi
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+ user=$value
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case $user in
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\/*)
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;;
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*)
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user=`pwd`/$user
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- usersubname=`pwd`/$usersubname
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;;
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esac
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- if test ! -f $usersubname
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- then
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- if test -f $usersubname.f
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- then
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- usersubname=$usersubname.f
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- elif test -f $usersubname.F
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- then
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- usersubname=$usersubname.F
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- elif test -f $usersubname.f90
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- then
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- usersubname=$usersubname.f90
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- elif test -f $usersubname.F90
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- then
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- usersubname=$usersubname.F90
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- fi
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- fi
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+ usernoext=$user
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+ usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f`
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+ usernoext=`dirname $usernoext`/`$BASENAME $usernoext .F`
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+ usernoext=`dirname $usernoext`/`$BASENAME $usernoext .for`
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+ usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f90`
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;;
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-obj | -OBJ)
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objs="$value"
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@@ -1208,12 +1198,12 @@
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fi
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fi
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fi
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- if test "$usersubname"
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+ if test "$user"
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then
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- if test ! -f $usersubname
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+ if test ! -f $user
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then
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error="$error
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-user subroutine file $usersubname not accessible"
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+user subroutine file $user not accessible"
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fi
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fi
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if test "$objs"
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@@ -1532,7 +1522,7 @@
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Marc shared lib : $progdll
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Version type : $mode
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Job ID : $DIRJID/$jid$extra_job_info
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-User subroutine name : $usersubname
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+User subroutine name : $user
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User objects/libs : $objs
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Restart file job ID : $rid
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Substructure file ID : $sid
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@@ -1565,7 +1555,7 @@
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Marc shared lib : $progdll
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Version type : $mode
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Job ID : $DIRJID/$jid$extra_job_info
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-User subroutine name : $usersubname
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+User subroutine name : $user
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User objects/libs : $objs
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Restart file job ID : $rid
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Substructure file ID : $sid
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@@ -1688,7 +1678,7 @@
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;;
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esac
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fi
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- $ECHO "User subroutine name ($usersubname)? $ECHOTXT"
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+ $ECHO "User subroutine name ($user)? $ECHOTXT"
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read value
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if test "$value"
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then
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@@ -1697,50 +1687,19 @@
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user=
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;;
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*)
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- user=`dirname $value`/`$BASENAME $value .f`
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- usersubname=$user
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- basefile=`$BASENAME $value`
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- if test ${basefile##*.} = f
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- then
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- user=`dirname $value`/`$BASENAME $value .f`
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- usersubname=$user.f
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- elif test ${basefile##*.} = F
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- then
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- user=`dirname $value`/`$BASENAME $value .F`
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- usersubname=$user.F
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- elif test ${basefile##*.} = f90
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- then
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- user=`dirname $value`/`$BASENAME $value .f90`
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- usersubname=$user.f90
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- elif test ${basefile##*.} = F90
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- then
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- user=`dirname $value`/`$BASENAME $value .F90`
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- usersubname=$user.F90
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- fi
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+ user=$value
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case $user in
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\/*)
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;;
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*)
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user=`pwd`/$user
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- usersubname=`pwd`/$usersubname
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;;
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esac
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- if test ! -f $usersubname
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- then
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- if test -f $usersubname.f
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- then
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- usersubname=$usersubname.f
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- elif test -f $usersubname.F
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- then
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- usersubname=$usersubname.F
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- elif test -f $usersubname.f90
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- then
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- usersubname=$usersubname.f90
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- elif test -f $usersubname.F90
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- then
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- usersubname=$usersubname.F90
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- fi
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- fi
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+ usernoext=$user
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+ usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f`
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+ usernoext=`dirname $usernoext`/`$BASENAME $usernoext .F`
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+ usernoext=`dirname $usernoext`/`$BASENAME $usernoext .for`
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+ usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f90`
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;;
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esac
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fi
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@@ -2275,11 +2234,12 @@
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#
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# user subroutine used
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#
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+# add DAMASK options for linking
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+ DAMASK="-lstdc++"
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if test "$user"
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then
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-# program=$user.marc
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- program=$DIRJOB/`$BASENAME $user .f`.marc
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+ program=$usernoext.marc
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case $program in
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\/* | \.\/*)
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bd=
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@@ -2392,7 +2352,7 @@
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fi
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if test "$user"
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then
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- execpath=$DIRJOB/`$BASENAME $user .f`.marc
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+ execpath=$usernoext.marc
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usersub=1
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fi
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export execpath
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@@ -3275,33 +3235,16 @@
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echo
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if test "$user"
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then
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- userobj=$DIRJOB/`$BASENAME $user .f`.o
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- basefile=`$BASENAME $usersubname`
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- if test ${basefile##*.} = f
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- then
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- usersub=$DIRJOB/`$BASENAME $user .f`.F
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- ln -sf "$user.f" "$usersub"
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- else
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- usersub=$usersubname
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- fi
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-
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+ userobj=$usernoext.o
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fi
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cat > $jid.runmarcscript << END4
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if test "$user"
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then
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- if test ${basefile##*.} = f
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- then
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- ln -sf "$user.f" "$usersub"
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- fi
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- $FORTRAN $usersub -o $userobj || \
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+ $DFORTLOWMP $user -o $userobj || \
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{
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- echo "$0: compile failed for $usersubname"
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+ echo "$0: compile failed for $user"
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exit 1
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}
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/bin/rm $program 2>/dev/null
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- if test ${basefile##*.} = f
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- then
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- /bin/rm -f "$usersub"
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- fi
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fi
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@@ -3323,6 +3266,7 @@
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$TKLIBS \
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$MRCLIBS \
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$METISLIBS \
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+ $DAMASK \
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$SFLIB \
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$OPENSSL_LIB \
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$SYSLIBS \
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@@ -3336,6 +3280,9 @@
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prgsav=yes
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fi
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/bin/rm $userobj 2>/dev/null
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+/bin/rm $DIRJOB/*.mod 2>/dev/null
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+/bin/rm $DIRJOB/*.smod 2>/dev/null
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+/bin/rm $DIRJOB/*_genmod.f90 2>/dev/null
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#
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# run marc
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@@ -3383,7 +3330,7 @@
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fi
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else
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if test $cpdll = yes; then
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- filename=`basename $usersubname .f`
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+ filename=$usernoext
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/bin/cp $DIRJOB/$marcdll $DIRJOB/${filename}_$marcdll 2>/dev/null
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fi
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if test $rmdll = yes
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@@ -3549,7 +3496,7 @@
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# first copy over the user sub if local directories
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if test ${dirstatus[$counter]} = "local"
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then
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- $RCP $user.f $i:$DIR1/
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+ $RCP $user $i:$DIR1/
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fi
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# do the compilation on the other machine
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if test ${dirstatus[$counter]} = "shared"
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@@ -3562,21 +3509,21 @@
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remoteuser=$DIR1/`$BASENAME $user`
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$RSH $i /bin/rm $remoteprog 2> /dev/null
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echo
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- $RSH $i $DIR2/tools/comp_user $DIR2 $DIR1 $remoteuser $remoteprog
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+ $RSH $i $DIR2/tools/comp_damask_lmp $DIR2 $DIR1 $remoteuser $remoteprog
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# check if successful, the new executable should be there
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line=`$RSH $i /bin/ls $remoteprog 2> /dev/null`
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if test "$line"
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then
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echo compilation and linking successful on host $i
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else
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- echo "$0: compile failed for $usersubname on host $i"
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+ echo "$0: compile failed for $user on host $i"
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echo " $PRODUCT Exit number 3"
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exit 1
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fi
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# remove the user subroutine on remote machine
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if test ${dirstatus[$counter]} = "local"
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then
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- $RSH $i /bin/rm $remoteuser.f 2> /dev/null
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+ $RSH $i /bin/rm $remoteuser 2> /dev/null
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fi
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fi
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fi
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@@ -3586,27 +3533,15 @@
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if test "$userhost"
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then
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echo
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- echo "Compiling and linking user subroutine $user.f on host `hostname`"
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- fi
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- userobj=$DIRJOB/`$BASENAME $user .f`.o
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- basefile=`$BASENAME $usersubname`
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- if test ${basefile##*.} = f
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- then
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- usersub=$DIRJOB/`$BASENAME $user .f`.F
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- ln -sf "$user.f" "$usersub"
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- else
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- usersub=$usersubname
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+ echo "Compiling and linking user subroutine $user on host `hostname`"
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fi
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+ userobj=$usernoext.o
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- $FORTRAN $usersub -o $userobj || \
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+ $DFORTLOWMP $user -o $userobj || \
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{
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- echo "$0: compile failed for $usersubname"
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+ echo "$0: compile failed for $user"
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echo " $PRODUCT Exit number 3"
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exit 1
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}
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/bin/rm $program 2>/dev/null
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- if test ${basefile##*.} = f
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- then
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- /bin/rm -f "$usersub"
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- fi
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fi # if test $user
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@@ -3628,6 +3563,7 @@
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$TKLIBS \
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$MRCLIBS \
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$METISLIBS \
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+ $DAMASK \
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$SFLIB \
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$OPENSSL_LIB \
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$SYSLIBS \
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@@ -3669,6 +3605,9 @@
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prgsav=yes
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fi # if test $link
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/bin/rm $userobj 2>/dev/null
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+/bin/rm $DIRJOB/*.mod 2>/dev/null
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+/bin/rm $DIRJOB/*.smod 2>/dev/null
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+/bin/rm $DIRJOB/*_genmod.f90 2>/dev/null
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#
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# run marc
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@@ -3763,7 +3702,7 @@
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else
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#dllrun >0
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if test $cpdll = yes; then
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- filename=`basename $usersubname .f`
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+ filename=$usernoext
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/bin/cp $DIRJOB/$marcdll $DIRJOB/${filename}_$marcdll 2>/dev/null
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fi
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if test $rmdll = yes;then
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@@ -3888,7 +3827,7 @@
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# first copy over the user sub if local directories
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if test ${dirstatus[$counter]} = "local"
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then
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- $RCP $user.f $i:$DIR1/
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+ $RCP $user $i:$DIR1/
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fi
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# do the compilation on the other machine
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if test ${dirstatus[$counter]} = "shared"
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@@ -3901,20 +3840,20 @@
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remoteuser=$DIR1/`$BASENAME $user`
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$RSH $i /bin/rm $remoteprog 2> /dev/null
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echo
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- $RSH $i $DIR2/tools/comp_user $DIR2 $DIR1 $remoteuser $remoteprog
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+ $RSH $i $DIR2/tools/comp_damask_lmp $DIR2 $DIR1 $remoteuser $remoteprog
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# check if successful, the new executable should be there
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line=`$RSH $i /bin/ls $remoteprog 2> /dev/null`
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if test "$line"
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then
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echo compilation and linking successful on host $i
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else
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- echo "$0: compile failed for $usersubname on host $i"
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+ echo "$0: compile failed for $user on host $i"
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exit 1
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fi
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# remove the user subroutine on remote machine
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if test ${dirstatus[$counter]} = "local"
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then
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- $RSH $i /bin/rm $remoteuser.f 2> /dev/null
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+ $RSH $i /bin/rm $remoteuser 2> /dev/null
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fi
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fi
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fi
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@@ -3924,26 +3863,14 @@
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if test "$userhost"
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then
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echo
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- echo "Compiling and linking user subroutine $user.f on host `hostname`"
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- fi
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- userobj=$DIRJOB/`$BASENAME $user .f`.o
|
||
|
- basefile=`$BASENAME $usersubname`
|
||
|
- if test ${basefile##*.} = f
|
||
|
- then
|
||
|
- usersub=$DIRJOB/`$BASENAME $user .f`.F
|
||
|
- ln -sf "$user.f" "$usersub"
|
||
|
- else
|
||
|
- usersub=$usersubname
|
||
|
+ echo "Compiling and linking user subroutine $user on host `hostname`"
|
||
|
fi
|
||
|
+ userobj=$usernoext.o
|
||
|
- $FORTRAN $usersub -o $userobj || \
|
||
|
+ $DFORTLOWMP $user -o $userobj || \
|
||
|
{
|
||
|
- echo "$0: compile failed for $usersubname"
|
||
|
+ echo "$0: compile failed for $user"
|
||
|
exit 1
|
||
|
}
|
||
|
/bin/rm $program 2>/dev/null
|
||
|
- if test ${basefile##*.} = f
|
||
|
- then
|
||
|
- /bin/rm -f "$usersub"
|
||
|
- fi
|
||
|
fi # if test $user
|
||
|
|
||
|
@@ -3965,6 +3892,7 @@
|
||
|
$TKLIBS \
|
||
|
$MRCLIBS \
|
||
|
$METISLIBS \
|
||
|
+ $DAMASK \
|
||
|
$SFLIB \
|
||
|
$OPENSSL_LIB \
|
||
|
$SYSLIBS \
|
||
|
@@ -4005,7 +3933,9 @@
|
||
|
prgsav=yes
|
||
|
fi # if test $link
|
||
|
/bin/rm $userobj 2>/dev/null
|
||
|
-
|
||
|
+/bin/rm $DIRJOB/*.mod 2>/dev/null
|
||
|
+/bin/rm $DIRJOB/*.smod 2>/dev/null
|
||
|
+/bin/rm $DIRJOB/*_genmod.f90 2>/dev/null
|
||
|
# done if no job id given
|
||
|
if test -z "$jid"
|
||
|
then
|
||
|
@@ -4125,7 +4055,7 @@
|
||
|
else
|
||
|
#dllrun >0
|
||
|
if test $cpdll = yes; then
|
||
|
- filename=`basename $usersubname .f`
|
||
|
+ filename=$usernoext
|
||
|
/bin/cp $DIRJOB/$marcdll $DIRJOB/${filename}_$marcdll 2>/dev/null
|
||
|
fi
|
||
|
if test $rmdll = yes;then
|