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diff -aur src/gamess/rungms src/gamess.new/rungms
--- gamess/rungms 2016-08-18 23:24:44.000000000 +0800
+++ gamess.new/rungms 2016-10-06 11:00:18.753915705 +0800
@@ -61,9 +61,9 @@
# See also a very old LoadLeveler "ll-gms" for some IBM systems.
#
set TARGET=sockets
-set SCR=/scr/$USER
-set USERSCR=/u1/$USER/scr
-set GMSPATH=/u1/mike/gamess
+set SCR=/tmp/
+set USERSCR=~/scr
+set GMSPATH=/opt/gamess
#
set JOB=$1 # name of the input file xxx.inp, give only the xxx part
set VERNO=$2 # revision number of the executable created by 'lked' step
@@ -351,52 +351,52 @@
# where all CPUs (aka COREs) are inside a -single- NODE.
# At other locations, you may wish to consider some of the examples
# that follow below, after commenting out this ISU specific part.
- if ($NCPUS > 1) then
- switch (`hostname`)
- case se.msg.chem.iastate.edu:
- case sb.msg.chem.iastate.edu:
- if ($NCPUS > 2) set NCPUS=2
- set NNODES=1
- set HOSTLIST=(`hostname`:cpus=$NCPUS)
- breaksw
- case cd.msg.chem.iastate.edu:
- case zn.msg.chem.iastate.edu:
- case ni.msg.chem.iastate.edu:
- case te.msg.chem.iastate.edu:
- case pb.msg.chem.iastate.edu:
- case bi.msg.chem.iastate.edu:
- case po.msg.chem.iastate.edu:
- case at.msg.chem.iastate.edu:
- case as.msg.chem.iastate.edu:
- if ($NCPUS > 4) set NCPUS=4
- set NNODES=1
- set HOSTLIST=(`hostname`:cpus=$NCPUS)
- breaksw
- case gd.msg.chem.iastate.edu:
- case bolt.iprt.iastate.edu:
- if ($NCPUS > 6) set NCPUS=6
- set NNODES=1
- set HOSTLIST=(`hostname`:cpus=$NCPUS)
- breaksw
- case br.msg.chem.iastate.edu:
- if ($NCPUS > 8) set NCPUS=8
- set NNODES=1
- set HOSTLIST=(`hostname`:cpus=$NCPUS)
- breaksw
- case ga.msg.chem.iastate.edu:
- case ge.msg.chem.iastate.edu:
- if ($NCPUS > 12) set NCPUS=12
- set NNODES=1
- set HOSTLIST=(`hostname`:cpus=$NCPUS)
- breaksw
- default:
- echo " "
- echo Assuming a single but multicore node.
- echo " "
- set NNODES=1
- set HOSTLIST=(`hostname`:cpus=$NCPUS)
- endsw
- endif
+# if ($NCPUS > 1) then
+# switch (`hostname`)
+# case se.msg.chem.iastate.edu:
+# case sb.msg.chem.iastate.edu:
+# if ($NCPUS > 2) set NCPUS=2
+# set NNODES=1
+# set HOSTLIST=(`hostname`:cpus=$NCPUS)
+# breaksw
+# case cd.msg.chem.iastate.edu:
+# case zn.msg.chem.iastate.edu:
+# case ni.msg.chem.iastate.edu:
+# case te.msg.chem.iastate.edu:
+# case pb.msg.chem.iastate.edu:
+# case bi.msg.chem.iastate.edu:
+# case po.msg.chem.iastate.edu:
+# case at.msg.chem.iastate.edu:
+# case as.msg.chem.iastate.edu:
+# if ($NCPUS > 4) set NCPUS=4
+# set NNODES=1
+# set HOSTLIST=(`hostname`:cpus=$NCPUS)
+# breaksw
+# case gd.msg.chem.iastate.edu:
+# case bolt.iprt.iastate.edu:
+# if ($NCPUS > 6) set NCPUS=6
+# set NNODES=1
+# set HOSTLIST=(`hostname`:cpus=$NCPUS)
+# breaksw
+# case br.msg.chem.iastate.edu:
+# if ($NCPUS > 8) set NCPUS=8
+# set NNODES=1
+# set HOSTLIST=(`hostname`:cpus=$NCPUS)
+# breaksw
+# case ga.msg.chem.iastate.edu:
+# case ge.msg.chem.iastate.edu:
+# if ($NCPUS > 12) set NCPUS=12
+# set NNODES=1
+# set HOSTLIST=(`hostname`:cpus=$NCPUS)
+# breaksw
+# default:
+# echo " "
+# echo Assuming a single but multicore node.
+# echo " "
+# set NNODES=1
+# set HOSTLIST=(`hostname`:cpus=$NCPUS)
+# endsw
+# endif
#
# 4. How to run in a single computer, namely the "localhost", so
# this computer needn't have a proper Internet name.
@@ -408,13 +408,13 @@
# Apple binary from our web site, provided it is uncommented,
# and the passage #2 just above is deleted or commented out.
#
-#-- set HOSTLIST=()
-#-- @ n=1
-#-- while ($n <= $NCPUS)
-#-- set HOSTLIST=($HOSTLIST localhost)
-#-- @ n++
-#-- end
-#-- set NNODES=$NCPUS
+ set HOSTLIST=()
+ @ n=1
+ while ($n <= $NCPUS)
+ set HOSTLIST=($HOSTLIST localhost)
+ @ n++
+ end
+ set NNODES=$NCPUS
#
# 5. A phony example, of four dual processors (arbitrary names)
# Since their names never change, we just can just specify them.
|