[Swift-commit] r5947 - in SwiftApps/CMTS/trajectory: . conf
davidk at ci.uchicago.edu
davidk at ci.uchicago.edu
Tue Sep 25 12:55:07 CDT 2012
Author: davidk
Date: 2012-09-25 12:55:07 -0500 (Tue, 25 Sep 2012)
New Revision: 5947
Added:
SwiftApps/CMTS/trajectory/conf/
SwiftApps/CMTS/trajectory/conf/beagle.cf
SwiftApps/CMTS/trajectory/conf/beagle.xml
SwiftApps/CMTS/trajectory/conf/fusion-ssh.cf
SwiftApps/CMTS/trajectory/conf/fusion-ssh.xml
SwiftApps/CMTS/trajectory/conf/grotthuss-ssh.cf
SwiftApps/CMTS/trajectory/conf/grotthuss-ssh.xml
SwiftApps/CMTS/trajectory/conf/grotthuss.cf
SwiftApps/CMTS/trajectory/conf/grotthuss.xml
SwiftApps/CMTS/trajectory/conf/local.cf
SwiftApps/CMTS/trajectory/conf/local.xml
SwiftApps/CMTS/trajectory/conf/makena-ssh.cf
SwiftApps/CMTS/trajectory/conf/makena-ssh.xml
SwiftApps/CMTS/trajectory/conf/makena.cf
SwiftApps/CMTS/trajectory/conf/makena.xml
SwiftApps/CMTS/trajectory/conf/makgroth.cf
SwiftApps/CMTS/trajectory/conf/makgroth.xml
SwiftApps/CMTS/trajectory/conf/mcs.cf
SwiftApps/CMTS/trajectory/conf/mcs.conf
SwiftApps/CMTS/trajectory/conf/midway-ssh.cf
SwiftApps/CMTS/trajectory/conf/midway-ssh.xml
SwiftApps/CMTS/trajectory/conf/multisite.cf
SwiftApps/CMTS/trajectory/conf/multisite.xml
SwiftApps/CMTS/trajectory/conf/pads-ssh.cf
SwiftApps/CMTS/trajectory/conf/pads-ssh.xml
SwiftApps/CMTS/trajectory/conf/pads.cf
SwiftApps/CMTS/trajectory/conf/pads.xml
SwiftApps/CMTS/trajectory/conf/ranger-ssh.cf
SwiftApps/CMTS/trajectory/conf/ranger-ssh.xml
SwiftApps/CMTS/trajectory/runtrajectory.sh
Log:
Gensites templates for trajectory scripts
Added: SwiftApps/CMTS/trajectory/conf/beagle.cf
===================================================================
--- SwiftApps/CMTS/trajectory/conf/beagle.cf (rev 0)
+++ SwiftApps/CMTS/trajectory/conf/beagle.cf 2012-09-25 17:55:07 UTC (rev 5947)
@@ -0,0 +1,10 @@
+wrapperlog.always.transfer=true
+sitedir.keep=true
+execution.retries=3
+lazy.errors=true
+status.mode=provider
+use.provider.staging=false
+provider.staging.pin.swiftfiles=false
+
+#app sumloss=$PWD/../sumloss.sh
+#app evolve=$PWD/../evolve.sh
Added: SwiftApps/CMTS/trajectory/conf/beagle.xml
===================================================================
--- SwiftApps/CMTS/trajectory/conf/beagle.xml (rev 0)
+++ SwiftApps/CMTS/trajectory/conf/beagle.xml 2012-09-25 17:55:07 UTC (rev 5947)
@@ -0,0 +1,23 @@
+<config>
+ <pool handle="beagle">
+ <execution provider="coaster" jobmanager="local:pbs"/>
+
+ <profile namespace="env" key="SWIFT_GEN_SCRIPTS">KEEP</profile>
+
+ <profile namespace="globus" key="jobsPerNode">1</profile>
+ <profile namespace="globus" key="lowOverAllocation">100</profile>
+ <profile namespace="globus" key="highOverAllocation">100</profile>
+ <profile namespace="globus" key="providerAttributes">pbs.aprun;pbs.mpp;depth=24</profile>
+ <profile namespace="globus" key="maxTime">10000</profile>
+ <profile namespace="globus" key="maxWallTime">01:30:00</profile>
+ <profile namespace="globus" key="slots">50</profile>
+ <profile namespace="globus" key="nodeGranularity">2</profile>
+ <profile namespace="globus" key="maxNodes">2</profile>
+ <profile namespace="globus" key="queue">route</profile>
+ <profile namespace="karajan" key="jobThrottle">9.59</profile>
+ <profile namespace="karajan" key="initialScore">10000</profile>
+ <filesystem provider="local"/>
+ <workdirectory>_WORK_/beagle</workdirectory>
+ </pool>
+</config>
+
Added: SwiftApps/CMTS/trajectory/conf/fusion-ssh.cf
===================================================================
--- SwiftApps/CMTS/trajectory/conf/fusion-ssh.cf (rev 0)
+++ SwiftApps/CMTS/trajectory/conf/fusion-ssh.cf 2012-09-25 17:55:07 UTC (rev 5947)
@@ -0,0 +1,11 @@
+wrapperlog.always.transfer=true
+sitedir.keep=true
+execution.retries=0
+lazy.errors=true
+status.mode=provider
+use.provider.staging=true
+provider.staging.pin.swiftfiles=false
+use.wrapper.staging=false
+
+#app rmsd=$PWD/../rmsd.sh
+#app plot_pd=$PWD/../plot_pd.pl
Added: SwiftApps/CMTS/trajectory/conf/fusion-ssh.xml
===================================================================
--- SwiftApps/CMTS/trajectory/conf/fusion-ssh.xml (rev 0)
+++ SwiftApps/CMTS/trajectory/conf/fusion-ssh.xml 2012-09-25 17:55:07 UTC (rev 5947)
@@ -0,0 +1,19 @@
+<config>
+<pool handle="grotthuss">
+ <execution provider="coaster" url="fusion.lcrc.anl.gov" jobmanager="ssh-cl:pbs"/>
+ <filesystem provider="local" url="none" />
+ <profile namespace="globus" key="maxTime">3600</profile>
+ <profile namespace="globus" key="highOverAllocation">100</profile>
+ <profile namespace="globus" key="lowOverAllocation">100</profile>
+ <profile key="jobsPerNode" namespace="globus">1</profile>
+ <profile key="slots" namespace="globus">1</profile>
+ <profile key="maxNodes" namespace="globus">1</profile>
+ <profile key="jobThrottle" namespace="karajan">5.99</profile>
+ <profile key="initialScore" namespace="karajan">10000</profile>
+ <profile key="count" namespace="globus">1</profile>
+ <profile key="jobType" namespace="globus">single</profile>
+ <profile key="ppn" namespace="globus">8</profile>
+ <workdirectory>_WORK_</workdirectory>
+</pool>
+</config>
+
Added: SwiftApps/CMTS/trajectory/conf/grotthuss-ssh.cf
===================================================================
--- SwiftApps/CMTS/trajectory/conf/grotthuss-ssh.cf (rev 0)
+++ SwiftApps/CMTS/trajectory/conf/grotthuss-ssh.cf 2012-09-25 17:55:07 UTC (rev 5947)
@@ -0,0 +1,11 @@
+wrapperlog.always.transfer=true
+sitedir.keep=true
+execution.retries=0
+lazy.errors=false
+use.provider.staging=true
+provider.staging.pin.swiftfiles=false
+use.wrapper.staging=false
+tcp.port.range=50000,51000
+
+#app rmsd=$PWD/../rmsd.sh
+#app plot_pd=$PWD/../plot_pd.pl
Added: SwiftApps/CMTS/trajectory/conf/grotthuss-ssh.xml
===================================================================
--- SwiftApps/CMTS/trajectory/conf/grotthuss-ssh.xml (rev 0)
+++ SwiftApps/CMTS/trajectory/conf/grotthuss-ssh.xml 2012-09-25 17:55:07 UTC (rev 5947)
@@ -0,0 +1,20 @@
+<config>
+<pool handle="grotthuss-ssh">
+ <execution provider="coaster" url="grotthuss.uchicago.edu" jobmanager="ssh-cl:pbs"/>
+ <filesystem provider="local" url="none" />
+ <profile namespace="globus" key="HighOverAllocation">100</profile>
+ <profile namespace="globus" key="LowOverAllocation">100</profile>
+ <profile namespace="globus" key="maxWallTime">00:50:00</profile>
+ <profile namespace="globus" key="maxTime">3600</profile>
+ <profile key="jobsPerNode" namespace="globus">1</profile>
+ <profile key="nodeGranularity" namespace="globus">1</profile>
+ <profile key="maxNodes" namespace="globus">2</profile>
+ <profile key="queue" namespace="globus">devel</profile>
+ <profile key="jobThrottle" namespace="karajan">1.01</profile>
+ <profile key="initialScore" namespace="karajan">10000</profile>
+ <profile key="count" namespace="globus">1</profile>
+ <profile key="jobType" namespace="globus">single</profile>
+ <profile key="ppn" namespace="globus">8</profile>
+ <workdirectory>_WORK_</workdirectory>
+</pool>
+</config>
Added: SwiftApps/CMTS/trajectory/conf/grotthuss.cf
===================================================================
--- SwiftApps/CMTS/trajectory/conf/grotthuss.cf (rev 0)
+++ SwiftApps/CMTS/trajectory/conf/grotthuss.cf 2012-09-25 17:55:07 UTC (rev 5947)
@@ -0,0 +1,11 @@
+wrapperlog.always.transfer=true
+sitedir.keep=true
+execution.retries=10
+lazy.errors=true
+status.mode=provider
+use.provider.staging=false
+provider.staging.pin.swiftfiles=false
+use.wrapper.staging=false
+
+#app rmsd=$PWD/../rmsd.sh
+#app plot_pd=$PWD/../plot_pd.pl
Added: SwiftApps/CMTS/trajectory/conf/grotthuss.xml
===================================================================
--- SwiftApps/CMTS/trajectory/conf/grotthuss.xml (rev 0)
+++ SwiftApps/CMTS/trajectory/conf/grotthuss.xml 2012-09-25 17:55:07 UTC (rev 5947)
@@ -0,0 +1,19 @@
+<config>
+<pool handle="grotthuss">
+ <execution jobmanager="local:pbs" provider="pbs" url="none"/>
+ <filesystem provider="local" url="none" />
+ <profile namespace="globus" key="maxWallTime">01:00:00</profile>
+ <profile namespace="globus" key="maxTime">3600</profile>
+ <profile key="jobsPerNode" namespace="globus">8</profile>
+ <profile key="slots" namespace="globus">1</profile>
+ <profile key="maxNodes" namespace="globus">1</profile>
+ <profile key="queue" namespace="globus">devel</profile>
+ <profile key="jobThrottle" namespace="karajan">5.99</profile>
+ <profile key="initialScore" namespace="karajan">10000</profile>
+ <profile key="count" namespace="globus">1</profile>
+ <profile key="jobType" namespace="globus">single</profile>
+ <profile key="ppn" namespace="globus">8</profile>
+ <workdirectory>_WORK_</workdirectory>
+</pool>
+</config>
+
Added: SwiftApps/CMTS/trajectory/conf/local.cf
===================================================================
--- SwiftApps/CMTS/trajectory/conf/local.cf (rev 0)
+++ SwiftApps/CMTS/trajectory/conf/local.cf 2012-09-25 17:55:07 UTC (rev 5947)
@@ -0,0 +1,10 @@
+wrapperlog.always.transfer=true
+sitedir.keep=true
+execution.retries=0
+lazy.errors=true
+status.mode=provider
+use.provider.staging=false
+provider.staging.pin.swiftfiles=false
+use.wrapper.staging=false
+
+#app rmsd=$PWD/../rmsd.sh
Added: SwiftApps/CMTS/trajectory/conf/local.xml
===================================================================
--- SwiftApps/CMTS/trajectory/conf/local.xml (rev 0)
+++ SwiftApps/CMTS/trajectory/conf/local.xml 2012-09-25 17:55:07 UTC (rev 5947)
@@ -0,0 +1,14 @@
+<config>
+ <pool handle="localhost">
+ <filesystem provider="local" />
+ <execution provider="coaster" jobmanager="local:local"/>
+ <profile namespace="karajan" key="jobthrottle">2.55</profile>
+ <profile namespace="karajan" key="initialScore">10000</profile>
+ <profile namespace="globus" key="jobsPerNode">4</profile>
+ <profile namespace="globus" key="slots">8</profile>
+ <profile namespace="globus" key="maxTime">1000</profile>
+ <profile namespace="globus" key="nodeGranularity">1</profile>
+ <profile namespace="globus" key="maxNodes">4</profile>
+ <workdirectory>/tmp</workdirectory>
+ </pool>
+</config>
Added: SwiftApps/CMTS/trajectory/conf/makena-ssh.cf
===================================================================
--- SwiftApps/CMTS/trajectory/conf/makena-ssh.cf (rev 0)
+++ SwiftApps/CMTS/trajectory/conf/makena-ssh.cf 2012-09-25 17:55:07 UTC (rev 5947)
@@ -0,0 +1,11 @@
+wrapperlog.always.transfer=true
+sitedir.keep=true
+execution.retries=0
+lazy.errors=false
+use.provider.staging=true
+provider.staging.pin.swiftfiles=false
+use.wrapper.staging=false
+tcp.port.range=5000,51000
+
+#app rmsd=$PWD/../rmsd.sh
+#app plot_pd=$PWD/../plot_pd.pl
Added: SwiftApps/CMTS/trajectory/conf/makena-ssh.xml
===================================================================
--- SwiftApps/CMTS/trajectory/conf/makena-ssh.xml (rev 0)
+++ SwiftApps/CMTS/trajectory/conf/makena-ssh.xml 2012-09-25 17:55:07 UTC (rev 5947)
@@ -0,0 +1,21 @@
+<config>
+<pool handle="makena-ssh">
+ <execution provider="coaster" url="makena.uchicago.edu" jobmanager="ssh:pbs"/>
+ <filesystem provider="local" url="none" />
+ <profile namespace="globus" key="HighOverAllocation">100</profile>
+ <profile namespace="globus" key="LowOverAllocation">100</profile>
+ <profile namespace="globus" key="maxWallTime">00:50:00</profile>
+ <profile namespace="globus" key="maxTime">3600</profile>
+ <profile key="jobsPerNode" namespace="globus">1</profile>
+ <profile key="nodeGranularity" namespace="globus">1</profile>
+ <profile key="maxNodes" namespace="globus">2</profile>
+ <profile key="queue" namespace="globus">devel</profile>
+ <profile key="jobThrottle" namespace="karajan">1.01</profile>
+ <profile key="initialScore" namespace="karajan">10000</profile>
+ <profile key="count" namespace="globus">2</profile>
+ <profile key="jobType" namespace="globus">single</profile>
+ <profile key="ppn" namespace="globus">8</profile>
+ <workdirectory>_WORK_</workdirectory>
+</pool>
+</config>
+
Added: SwiftApps/CMTS/trajectory/conf/makena.cf
===================================================================
--- SwiftApps/CMTS/trajectory/conf/makena.cf (rev 0)
+++ SwiftApps/CMTS/trajectory/conf/makena.cf 2012-09-25 17:55:07 UTC (rev 5947)
@@ -0,0 +1,11 @@
+wrapperlog.always.transfer=true
+sitedir.keep=true
+execution.retries=10
+lazy.errors=true
+status.mode=provider
+use.provider.staging=false
+provider.staging.pin.swiftfiles=false
+use.wrapper.staging=false
+
+#app rmsd=$PWD/../rmsd.sh
+#app plot_pd=$PWD/../plot_pd.pl
Added: SwiftApps/CMTS/trajectory/conf/makena.xml
===================================================================
--- SwiftApps/CMTS/trajectory/conf/makena.xml (rev 0)
+++ SwiftApps/CMTS/trajectory/conf/makena.xml 2012-09-25 17:55:07 UTC (rev 5947)
@@ -0,0 +1,20 @@
+<config>
+<pool handle="makena">
+ <execution jobmanager="local:pbs" provider="pbs" url="none"/>
+ <filesystem provider="local" url="none" />
+ <profile namespace="globus" key="maxWallTime">01:00:00</profile>
+ <profile namespace="globus" key="maxTime">3600</profile>
+ <profile key="jobsPerNode" namespace="globus">8</profile>
+ <profile key="slots" namespace="globus">1</profile>
+ <profile key="nodeGranularity" namespace="globus">2</profile>
+ <profile key="maxNodes" namespace="globus">2</profile>
+ <profile key="queue" namespace="globus">devel</profile>
+ <profile key="jobThrottle" namespace="karajan">5.99</profile>
+ <profile key="initialScore" namespace="karajan">10000</profile>
+ <profile key="count" namespace="globus">2</profile>
+ <profile key="jobType" namespace="globus">single</profile>
+ <profile key="ppn" namespace="globus">8</profile>
+ <workdirectory>_WORK_</workdirectory>
+</pool>
+</config>
+
Added: SwiftApps/CMTS/trajectory/conf/makgroth.cf
===================================================================
--- SwiftApps/CMTS/trajectory/conf/makgroth.cf (rev 0)
+++ SwiftApps/CMTS/trajectory/conf/makgroth.cf 2012-09-25 17:55:07 UTC (rev 5947)
@@ -0,0 +1,11 @@
+wrapperlog.always.transfer=true
+sitedir.keep=true
+execution.retries=0
+lazy.errors=false
+use.provider.staging=true
+provider.staging.pin.swiftfiles=false
+use.wrapper.staging=false
+tcp.port.range=5000,51000
+
+#app rmsd=$PWD/../rmsd.sh
+#app plot_pd=$PWD/../plot_pd.pl
Added: SwiftApps/CMTS/trajectory/conf/makgroth.xml
===================================================================
--- SwiftApps/CMTS/trajectory/conf/makgroth.xml (rev 0)
+++ SwiftApps/CMTS/trajectory/conf/makgroth.xml 2012-09-25 17:55:07 UTC (rev 5947)
@@ -0,0 +1,41 @@
+<config>
+
+<pool handle="makena-ssh">
+ <execution provider="coaster" url="makena.uchicago.edu" jobmanager="ssh-cl:pbs"/>
+ <filesystem provider="local" url="none" />
+ <profile namespace="globus" key="HighOverAllocation">100</profile>
+ <profile namespace="globus" key="LowOverAllocation">100</profile>
+ <profile namespace="globus" key="maxWallTime">00:50:00</profile>
+ <profile namespace="globus" key="maxTime">3600</profile>
+ <profile key="jobsPerNode" namespace="globus">1</profile>
+ <profile key="nodeGranularity" namespace="globus">1</profile>
+ <profile key="maxNodes" namespace="globus">2</profile>
+ <profile key="queue" namespace="globus">devel</profile>
+ <profile key="jobThrottle" namespace="karajan">1.01</profile>
+ <profile key="initialScore" namespace="karajan">10000</profile>
+ <profile key="count" namespace="globus">2</profile>
+ <profile key="jobType" namespace="globus">single</profile>
+ <profile key="ppn" namespace="globus">8</profile>
+ <workdirectory>_WORK_</workdirectory>
+</pool>
+
+<pool handle="grotthuss-ssh">
+ <execution provider="coaster" url="grotthuss.uchicago.edu" jobmanager="ssh-cl:pbs"/>
+ <filesystem provider="local" url="none" />
+ <profile namespace="globus" key="HighOverAllocation">100</profile>
+ <profile namespace="globus" key="LowOverAllocation">100</profile>
+ <profile namespace="globus" key="maxWallTime">00:50:00</profile>
+ <profile namespace="globus" key="maxTime">3600</profile>
+ <profile key="jobsPerNode" namespace="globus">1</profile>
+ <profile key="nodeGranularity" namespace="globus">1</profile>
+ <profile key="maxNodes" namespace="globus">2</profile>
+ <profile key="queue" namespace="globus">devel</profile>
+ <profile key="jobThrottle" namespace="karajan">1.01</profile>
+ <profile key="initialScore" namespace="karajan">10000</profile>
+ <profile key="count" namespace="globus">1</profile>
+ <profile key="jobType" namespace="globus">single</profile>
+ <profile key="ppn" namespace="globus">8</profile>
+ <workdirectory>_WORK_</workdirectory>
+</pool>
+
+</config>
Added: SwiftApps/CMTS/trajectory/conf/mcs.cf
===================================================================
--- SwiftApps/CMTS/trajectory/conf/mcs.cf (rev 0)
+++ SwiftApps/CMTS/trajectory/conf/mcs.cf 2012-09-25 17:55:07 UTC (rev 5947)
@@ -0,0 +1,7 @@
+wrapperlog.always.transfer=true
+sitedir.keep=true
+execution.retries=3
+lazy.errors=true
+status.mode=provider
+use.provider.staging=false
+provider.staging.pin.swiftfiles=false
Added: SwiftApps/CMTS/trajectory/conf/mcs.conf
===================================================================
--- SwiftApps/CMTS/trajectory/conf/mcs.conf (rev 0)
+++ SwiftApps/CMTS/trajectory/conf/mcs.conf 2012-09-25 17:55:07 UTC (rev 5947)
@@ -0,0 +1,45 @@
+# Keep all interesting settings in one place
+# User should modify this to fit environment
+
+# Location of SWIFT. If empty, PATH is referenced
+export SWIFT=
+
+# Where to place/launch worker.pl on the remote machine for sites.xml
+export WORKER_LOCATION=_RUNDIR_
+
+# How to launch workers: local, ssh, or cobalt
+export WORKER_MODE=ssh
+
+# Worker logging setting passed to worker.pl for sites.xml
+export WORKER_LOGGING_LEVEL=INFO
+
+# User name to use for all systems
+export WORKER_USERNAME=$USER
+
+# Worker host names for ssh
+export WORKER_HOSTS="crush thwomp stomp crank steamroller grind churn trounce thrash vanquish"
+
+# Directory to keep log files, relative to working directory when launching start-coaster-service
+export LOG_DIR=logs
+export WORKER_LOG_DIR=_RUNDIR_
+
+# Manually define ports. If not specified, ports will be automatically generated
+export LOCAL_PORT=
+export SERVICE_PORT=
+
+# Set shared filesystem to no since work will be done in local /sandbox directory
+export SHARED_FILESYSTEM=yes
+
+# start-coaster-service tries to automatically detect IP address.
+# Specify here if auto detection is not working correctly
+export IPADDR=
+
+# Below are various settings to give information about how to create sites.xml
+#export WORK=_RUNDIR_
+export JOBS_PER_NODE=1
+# export JOB_THROTTLE=$( echo "scale=5; $( echo $WORKER_HOSTS | wc -w )/100 - 0.00001"|bc )
+
+# Swift applications
+#app sumloss=$PWD/../sumloss.sh
+#app evolve=$PWD/../evolve.sh
+
Added: SwiftApps/CMTS/trajectory/conf/midway-ssh.cf
===================================================================
--- SwiftApps/CMTS/trajectory/conf/midway-ssh.cf (rev 0)
+++ SwiftApps/CMTS/trajectory/conf/midway-ssh.cf 2012-09-25 17:55:07 UTC (rev 5947)
@@ -0,0 +1,11 @@
+wrapperlog.always.transfer=true
+sitedir.keep=true
+execution.retries=0
+lazy.errors=false
+status.mode=provider
+use.provider.staging=true
+provider.staging.pin.swiftfiles=false
+use.wrapper.staging=false
+
+#app rmsd=/home/davidkelly999/rmsd/rmsd.sh
+#app plot_pd=/home/davidkelly99/rmsd/plot_pd.pl
Added: SwiftApps/CMTS/trajectory/conf/midway-ssh.xml
===================================================================
--- SwiftApps/CMTS/trajectory/conf/midway-ssh.xml (rev 0)
+++ SwiftApps/CMTS/trajectory/conf/midway-ssh.xml 2012-09-25 17:55:07 UTC (rev 5947)
@@ -0,0 +1,22 @@
+<config>
+ <pool handle="midway">
+ <execution provider="coaster" url="davidkelly999 at midway.rcc.uchicago.edu" jobmanager="ssh-cl:slurm"/>
+ <profile namespace="globus" key="jobsPerNode">16</profile>
+ <profile namespace="globus" key="ppn">16</profile>
+ <profile namespace="globus" key="maxTime">3600</profile>
+ <profile namespace="globus" key="maxWallTime">00:10:00</profile>
+ <profile namespace="globus" key="slots">4</profile>
+ <profile namespace="globus" key="nodeGranularity">1</profile>
+ <profile namespace="globus" key="maxNodes">1</profile>
+ <profile namespace="globus" key="lowoverallocation">100</profile>
+ <profile namespace="globus" key="highoverallocation">100</profile>
+ <profile namespace="globus" key="queue">sandyb</profile>
+ <profile namespace="globus" key="count">2</profile>
+ <profile namespace="globus" key="jobType">single</profile>
+ <profile namespace="karajan" key="jobThrottle">.15</profile>
+ <profile namespace="karajan" key="initialScore">10000</profile>
+ <filesystem provider="local" url="none"/>
+ <workdirectory>/home/davidkelly999/work</workdirectory>
+ </pool>
+</config>
+
Added: SwiftApps/CMTS/trajectory/conf/multisite.cf
===================================================================
--- SwiftApps/CMTS/trajectory/conf/multisite.cf (rev 0)
+++ SwiftApps/CMTS/trajectory/conf/multisite.cf 2012-09-25 17:55:07 UTC (rev 5947)
@@ -0,0 +1,15 @@
+wrapperlog.always.transfer=true
+sitedir.keep=true
+execution.retries=0
+lazy.errors=false
+use.provider.staging=true
+provider.staging.pin.swiftfiles=false
+use.wrapper.staging=false
+tcp.port.range=50500,51000
+
+#app grotthuss-ssh rmsd=$PWD/../rmsd.sh
+#app grotthuss-ssh plot_pd=$PWD/../plot_pd.pl
+#app fusion-ssh rmsd=$PWD/../rmsd.sh
+#app fusion-ssh plot_pd=$PWD/../plot_pd.pl
+#app ranger-ssh rmsd=/share/home/01503/davidkel/rmsd/rmsd.sh
+#app ranger-ssh plot_pd=/share/home/01503/davidkel/rmsd/plot_pd.pl
Added: SwiftApps/CMTS/trajectory/conf/multisite.xml
===================================================================
--- SwiftApps/CMTS/trajectory/conf/multisite.xml (rev 0)
+++ SwiftApps/CMTS/trajectory/conf/multisite.xml 2012-09-25 17:55:07 UTC (rev 5947)
@@ -0,0 +1,58 @@
+<config>
+<pool handle="fusion-ssh">
+ <execution provider="coaster" url="fusion.lcrc.anl.gov" jobmanager="ssh-cl:pbs"/>
+ <filesystem provider="local" url="none" />
+ <profile namespace="globus" key="maxTime">3600</profile>
+ <profile namespace="globus" key="highOverAllocation">100</profile>
+ <profile namespace="globus" key="lowOverAllocation">100</profile>
+ <profile key="jobsPerNode" namespace="globus">1</profile>
+ <profile key="slots" namespace="globus">1</profile>
+ <profile key="maxNodes" namespace="globus">1</profile>
+ <profile key="jobThrottle" namespace="karajan">5.99</profile>
+ <profile key="initialScore" namespace="karajan">10000</profile>
+ <profile key="count" namespace="globus">1</profile>
+ <profile key="jobType" namespace="globus">single</profile>
+ <profile key="ppn" namespace="globus">8</profile>
+ <workdirectory>_WORK_</workdirectory>
+</pool>
+
+<pool handle="grotthuss-ssh">
+ <execution provider="coaster" url="grotthuss.uchicago.edu" jobmanager="ssh-cl:pbs"/>
+ <filesystem provider="local" url="none" />
+ <profile namespace="globus" key="HighOverAllocation">100</profile>
+ <profile namespace="globus" key="LowOverAllocation">100</profile>
+ <profile namespace="globus" key="maxWallTime">00:50:00</profile>
+ <profile namespace="globus" key="maxTime">3600</profile>
+ <profile key="jobsPerNode" namespace="globus">1</profile>
+ <profile key="nodeGranularity" namespace="globus">1</profile>
+ <profile key="maxNodes" namespace="globus">2</profile>
+ <profile key="queue" namespace="globus">devel</profile>
+ <profile key="jobThrottle" namespace="karajan">1.01</profile>
+ <profile key="initialScore" namespace="karajan">10000</profile>
+ <profile key="count" namespace="globus">1</profile>
+ <profile key="jobType" namespace="globus">single</profile>
+ <profile key="ppn" namespace="globus">8</profile>
+ <workdirectory>_WORK_</workdirectory>
+</pool>
+
+<pool handle="ranger-ssh">
+ <execution provider="coaster" url="davidkel at login3.ranger.tacc.utexas.edu" jobmanager="ssh-cl:sge"/>
+ <filesystem provider="local" url="none" />
+ <profile namespace="globus" key="maxWallTime">00:50:00</profile>
+ <profile namespace="globus" key="maxTime">3600</profile>
+ <profile namespace="globus" key="highOverAllocation">100</profile>
+ <profile namespace="globus" key="lowOverAllocation">100</profile>
+ <profile key="jobsPerNode" namespace="globus">1</profile>
+ <profile key="slots" namespace="globus">1</profile>
+ <profile key="nodeGranularity" namespace="globus">1</profile>
+ <profile key="coresPerNode" namespace="globus">16</profile>
+ <profile key="pe" namespace="globus">16way</profile>
+ <profile key="maxNodes" namespace="globus">2</profile>
+ <profile key="queue" namespace="globus">development</profile>
+ <profile key="jobThrottle" namespace="karajan">0.4799</profile>
+ <profile key="initialScore" namespace="karajan">10000</profile>
+ <profile namespace="globus" key="project">TG-MCA94P017</profile>
+ <workdirectory>/share/home/01503/davidkel/work</workdirectory>
+</pool>
+
+</config>
Added: SwiftApps/CMTS/trajectory/conf/pads-ssh.cf
===================================================================
--- SwiftApps/CMTS/trajectory/conf/pads-ssh.cf (rev 0)
+++ SwiftApps/CMTS/trajectory/conf/pads-ssh.cf 2012-09-25 17:55:07 UTC (rev 5947)
@@ -0,0 +1,11 @@
+wrapperlog.always.transfer=true
+sitedir.keep=true
+execution.retries=0
+lazy.errors=false
+status.mode=provider
+use.provider.staging=false
+provider.staging.pin.swiftfiles=false
+use.wrapper.staging=false
+
+#app rmsd=$PWD/../rmsd.sh
+#app plot_pd=$PWD/../plot_pd.pl
Added: SwiftApps/CMTS/trajectory/conf/pads-ssh.xml
===================================================================
--- SwiftApps/CMTS/trajectory/conf/pads-ssh.xml (rev 0)
+++ SwiftApps/CMTS/trajectory/conf/pads-ssh.xml 2012-09-25 17:55:07 UTC (rev 5947)
@@ -0,0 +1,21 @@
+<config>
+<pool handle="makena-ssh">
+ <execution provider="coaster" url="login1.pads.ci.uchicago.edu" jobmanager="ssh-cl:pbs"/>
+ <filesystem provider="local" url="none" />
+ <profile namespace="globus" key="HighOverAllocation">100</profile>
+ <profile namespace="globus" key="LowOverAllocation">100</profile>
+ <profile namespace="globus" key="maxWallTime">00:50:00</profile>
+ <profile namespace="globus" key="maxTime">3600</profile>
+ <profile key="jobsPerNode" namespace="globus">1</profile>
+ <profile key="nodeGranularity" namespace="globus">1</profile>
+ <profile key="maxNodes" namespace="globus">2</profile>
+ <profile key="queue" namespace="globus">fast</profile>
+ <profile key="jobThrottle" namespace="karajan">1.01</profile>
+ <profile key="initialScore" namespace="karajan">10000</profile>
+ <profile key="count" namespace="globus">2</profile>
+ <profile key="jobType" namespace="globus">single</profile>
+ <profile key="ppn" namespace="globus">8</profile>
+ <workdirectory>_WORK_</workdirectory>
+</pool>
+</config>
+
Added: SwiftApps/CMTS/trajectory/conf/pads.cf
===================================================================
--- SwiftApps/CMTS/trajectory/conf/pads.cf (rev 0)
+++ SwiftApps/CMTS/trajectory/conf/pads.cf 2012-09-25 17:55:07 UTC (rev 5947)
@@ -0,0 +1,11 @@
+wrapperlog.always.transfer=true
+sitedir.keep=true
+execution.retries=10
+lazy.errors=false
+status.mode=provider
+use.provider.staging=false
+provider.staging.pin.swiftfiles=false
+use.wrapper.staging=false
+
+#app rmsd=$PWD/../rmsd.sh
+#app plot_pd=$PWD/../plot_pd.pl
Added: SwiftApps/CMTS/trajectory/conf/pads.xml
===================================================================
--- SwiftApps/CMTS/trajectory/conf/pads.xml (rev 0)
+++ SwiftApps/CMTS/trajectory/conf/pads.xml 2012-09-25 17:55:07 UTC (rev 5947)
@@ -0,0 +1,20 @@
+<config>
+<pool handle="makena">
+ <execution jobmanager="local:pbs" provider="pbs" url="none"/>
+ <filesystem provider="local" url="none" />
+ <profile namespace="globus" key="maxWallTime">01:00:00</profile>
+ <profile namespace="globus" key="maxTime">3600</profile>
+ <profile key="jobsPerNode" namespace="globus">8</profile>
+ <profile key="slots" namespace="globus">1</profile>
+ <profile key="nodeGranularity" namespace="globus">2</profile>
+ <profile key="maxNodes" namespace="globus">1</profile>
+ <profile key="queue" namespace="globus">fast</profile>
+ <profile key="jobThrottle" namespace="karajan">5.99</profile>
+ <profile key="initialScore" namespace="karajan">10000</profile>
+ <profile key="count" namespace="globus">1</profile>
+ <profile key="jobType" namespace="globus">single</profile>
+ <profile key="ppn" namespace="globus">8</profile>
+ <workdirectory>_WORK_</workdirectory>
+</pool>
+</config>
+
Added: SwiftApps/CMTS/trajectory/conf/ranger-ssh.cf
===================================================================
--- SwiftApps/CMTS/trajectory/conf/ranger-ssh.cf (rev 0)
+++ SwiftApps/CMTS/trajectory/conf/ranger-ssh.cf 2012-09-25 17:55:07 UTC (rev 5947)
@@ -0,0 +1,11 @@
+wrapperlog.always.transfer=true
+sitedir.keep=true
+execution.retries=0
+lazy.errors=false
+use.provider.staging=true
+provider.staging.pin.swiftfiles=false
+use.wrapper.staging=false
+tcp.port.range=50000,51000
+
+#app rmsd=/share/home/01503/davidkel/rmsd/rmsd.sh
+#app plot_pd=/share/home/01503/davidkel/rmsd/plot_pd.pl
Added: SwiftApps/CMTS/trajectory/conf/ranger-ssh.xml
===================================================================
--- SwiftApps/CMTS/trajectory/conf/ranger-ssh.xml (rev 0)
+++ SwiftApps/CMTS/trajectory/conf/ranger-ssh.xml 2012-09-25 17:55:07 UTC (rev 5947)
@@ -0,0 +1,19 @@
+<config>
+<pool handle="ranger">
+ <execution provider="coaster" url="davidkel at login3.ranger.tacc.utexas.edu" jobmanager="ssh-cl:sge"/>
+ <filesystem provider="local" url="none" />
+ <profile namespace="globus" key="maxWallTime">5</profile>
+ <profile namespace="globus" key="maxTime">600</profile>
+ <profile key="jobsPerNode" namespace="globus">1</profile>
+ <profile key="slots" namespace="globus">1</profile>
+ <profile key="nodeGranularity" namespace="globus">1</profile>
+ <profile key="coresPerNode" namespace="globus">16</profile>
+ <profile key="pe" namespace="globus">16way</profile>
+ <profile key="maxNodes" namespace="globus">3</profile>
+ <profile key="queue" namespace="globus">development</profile>
+ <profile key="jobThrottle" namespace="karajan">0.4799</profile>
+ <profile key="initialScore" namespace="karajan">10000</profile>
+ <profile namespace="globus" key="project">TG-MCA94P017</profile>
+ <workdirectory>/share/home/01503/davidkel/work</workdirectory>
+</pool>
+</config>
Added: SwiftApps/CMTS/trajectory/runtrajectory.sh
===================================================================
--- SwiftApps/CMTS/trajectory/runtrajectory.sh (rev 0)
+++ SwiftApps/CMTS/trajectory/runtrajectory.sh 2012-09-25 17:55:07 UTC (rev 5947)
@@ -0,0 +1,95 @@
+#!/bin/bash
+
+# Usage: swiftopt.sh [-s sitename]
+#
+# NOTE: this command expects symlink "swift" in the cur dir to point
+# to relese installed by setup.sh If you want to run with a different
+# swift release, replace symlink "swift" with a link to your swift
+# release dir.
+
+usage="$0 [-s sitename]"
+
+# Function to run Swift
+runswift() {
+ swift -tc.file tc.data -sites.file $1 -config cf trajectory.swift 2>&1 | tee swift.out
+}
+
+# Default settings
+execsite=local
+paramfile=local
+ram=2048M
+
+# Process command line arguments
+while [ $# -gt 0 ]; do
+ case $1 in
+ -s) execsite=$2; shift 2;;
+ *) echo $usage 1>&2
+ exit 1;;
+ esac
+done
+
+# Create next unique run id and run directory
+rundir=$( echo run??? | sed -e 's/^.*run//' | awk '{ printf("run%03d\n", $1+1)}' )
+
+# Exit if rundir already exits. Something is funky
+if [ -d $rundir ];
+then
+ echo "$rundir already exists! exiting." >&2
+ exit 2
+else
+ mkdir $rundir
+fi
+
+# Copy input files
+cp input_files/* $rundir
+echo Run directory $rundir: site=$execsite paramfile=$paramfile
+
+# Report an error if configuration files are missing
+if [ ! -f "conf/$execsite.xml" ] && [ ! -f "conf/$execsite.conf" ]; then
+ echo Unable to find requested configuration file for site $execsite
+ exit 1
+fi
+
+# Use start-coaster-service if site is a .conf file
+if [ -f "conf/$execsite.conf" ]; then
+ USE_SCS=1
+fi
+
+# Check for missing .cf files
+if [ -f "conf/$execsite.xml" ] && [ ! -f "conf/$execsite.cf" ]; then
+ echo Missing configuration file $execsite.cf
+fi
+
+# Do the run
+cd $rundir
+cp ../trajectory.swift .
+export WORK=$PWD/swiftwork
+mkdir -p $PWD/swiftwork/workers
+
+# Use start-coaster-service if the site uses a .conf file
+if [ "$USE_SCS" == "1" ]; then
+ cp ../conf/$execsite.conf coaster-service.conf
+ cp ../conf/$execsite.cf cf
+ sed -i -e "s at _RUNDIR_@$rundir@" coaster-service.conf
+ start-coaster-service
+fi
+
+# Run gensites
+if [ ! "$USE_SCS" == 1 ]; then
+ cp ../conf/$execsite.cf cf
+ gensites -p ../conf/$execsite.cf ../conf/$execsite.xml > $execsite.xml
+fi
+
+echo "Run dir=$rundir" >> ABOUT
+echo "Work dir=$WORK" >> ABOUT
+echo "Total jobs=$total_jobs" >> ABOUT
+cp ../tc.data .
+
+if [ "$USE_SCS" == "1" ]; then
+ runswift "sites.xml"
+ stop-coaster-service
+else
+ runswift "$execsite.xml"
+fi
+
+exit
Property changes on: SwiftApps/CMTS/trajectory/runtrajectory.sh
___________________________________________________________________
Added: svn:executable
+ *
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