| 133 | * we give the module name: `<variable name="QCG_MODULES_LIST">Fusion/Turbulence</variable>` that has to be loaded before starting MUSCLE |
| 134 | * we specify pre and post process scripts. Example scripts: |
| 135 | {{{ |
| 136 | $cat fusion-preprocess.sh |
| 137 | #!/bin/bash |
| 138 | #copy all file from the data dir into current directory: |
| 139 | cp data/* . |
| 140 | $cat fusion-postprocess.sh |
| 141 | #!/bin/bash |
| 142 | #copy all CPOs into the `out` directory |
| 143 | mkdir -p out |
| 144 | cp *.cpo out |
| 145 | }}} |
| 146 | * provide staging directives |
| 147 | * Example session: |
| 148 | {{{ |
| 149 | #submit |
| 150 | qcg-sub fusion.xml QCG |
| 151 | |
| 152 | https://elder7.man.poznan.pl:8443/qcg/services/ |
| 153 | /C=PL/O=GRID/O=PSNC/CN=qcg-broker/qcg-broker.man.poznan.pl |
| 154 | UserDN = /C=PL/O=GRID/O=PSNC/CN=Mariusz Mamonski |
| 155 | ProxyLifetime = 23 Days 18 Hours 12 Minutes 0 Seconds |
| 156 | jobId = J1353272598993_MAPPER_0845 |
| 157 | |
| 158 | #get info |
| 159 | qcg-info J1353272598993_MAPPER_0845 |
| 160 | |
| 161 | https://elder7.man.poznan.pl:8443/qcg/services/ |
| 162 | /C=PL/O=GRID/O=PSNC/CN=qcg-broker/qcg-broker.man.poznan.pl |
| 163 | UserDN = /C=PL/O=GRID/O=PSNC/CN=Mariusz Mamonski |
| 164 | ProxyLifetime = 23 Days 18 Hours 11 Minutes 50 Seconds |
| 165 | |
| 166 | Note: |
| 167 | TaskType: MAPPER |
| 168 | SubmissionTime: Sun Nov 18 22:03:20 CET 2012 |
| 169 | FinishTime: |
| 170 | ProxyLifetime: P23DT18H11M47S |
| 171 | Status: QUEUED |
| 172 | StatusDesc: |
| 173 | ReservedTimeSlot: Sun Nov 18 22:04:00 CET 2012 - Sun Nov 18 22:35:00 CET 2012 |
| 174 | StartTime: |
| 175 | |
| 176 | Allocation: |
| 177 | HostName: inula.man.poznan.pl |
| 178 | ProcessesCount: 1 |
| 179 | ProcessesGroupId: init:transp:dupCorep:turb |
| 180 | Status: UNCOMMITTED |
| 181 | StatusDescription: |
| 182 | SubmissionTime: Sun Nov 18 22:03:24 CET 2012 |
| 183 | FinishTime: |
| 184 | LocalSubmissionTime: |
| 185 | LocalStartTime: |
| 186 | LocalFinishTime: |
| 187 | |
| 188 | }}} |
| 189 | |
| 190 | #peek output |
| 191 | qcg-peek J1353272598993_MAPPER_0845 |
| 192 | https://elder7.man.poznan.pl:8443/qcg/services/ |
| 193 | /C=PL/O=GRID/O=PSNC/CN=qcg-broker/qcg-broker.man.poznan.pl |
| 194 | UserDN = /C=PL/O=GRID/O=PSNC/CN=Mariusz Mamonski |
| 195 | ProxyLifetime = 23 Days 18 Hours 9 Minutes 43 Seconds |
| 196 | |
| 197 | openmpi/openmpi-open64_4.5.2-1.4.5-2 load complete. |
| 198 | Fusion/Turbulence load complete. |
| 199 | openmpi/openmpi-open64_4.5.2-1.4.5-2 load complete. |
| 200 | Running both MUSCLE2 Simulation Manager and the Simulation |
| 201 | === Running MUSCLE2 Simulation Manager === |
| 202 | Executing: java -server -Xms20m -Xmx100m -classpath /home/plgrid-groups/plggmuscle/2.0/devel-debug/share/muscle/java/muscle.jar:/home/plgrid-groups/plggmuscle/2.0/devel-debug/share/muscle/java/thirdparty/oncrpc.jar:/home/plgrid-groups/plggmuscle/2.0/devel-debug/share/muscle/java/thirdparty/platform.jar:/home/plgrid-groups/plggmuscle/2.0/devel-debug/share/muscle/java/thirdparty/JadeLeap.jar:/home/plgrid-groups/plggmuscle/2.0/devel-debug/share/muscle/java/thirdparty/jmml-util-0.1.jar:/home/plgrid-groups/plggmuscle/2.0/devel-debug/share/muscle/java/thirdparty/jna.jar:/home/plgrid-groups/plggmuscle/2.0/devel-debug/share/muscle/java/thirdparty/junit-4.10.jar:/home/plgrid-groups/plggmuscle/2.0/devel-debug/share/muscle/java/thirdparty/msgpack-0.6.6.jar:/home/plgrid-groups/plggmuscle/2.0/devel-debug/share/muscle/java/thirdparty/jsr-275-1.0-beta-2.jar:/home/plgrid-groups/plggmuscle/2.0/devel-debug/share/muscle/java/thirdparty/javassist-3.15.0-GA.jar:/home/plgrid-groups/plggmuscle/2.0/devel-debug/share/muscle/java/thirdparty/json_simple-1.1.jar:/home/plgrid-groups/plggmuscle/2.0/devel-debug/share/muscle/java/thirdparty/jcommander-1.17.jar -Dpl.psnc.muscle.socket.factory=muscle.net.CrossSocketFactory -Dpl.psnc.mapper.muscle.mto.address=192.168.11.102 -Dpl.psnc.map |
| 203 | |
| 204 | #when the job is finished |
| 205 | [qcg] /home/plgrid/plgmamonski/reef/MAPPER > qcg-info J1353272598993_MAPPER_0845 |
| 206 | https://elder7.man.poznan.pl:8443/qcg/services/ |
| 207 | /C=PL/O=GRID/O=PSNC/CN=qcg-broker/qcg-broker.man.poznan.pl |
| 208 | UserDN = /C=PL/O=GRID/O=PSNC/CN=Mariusz Mamonski |
| 209 | ProxyLifetime = 23 Days 18 Hours 8 Minutes 57 Seconds |
| 210 | |
| 211 | Note: |
| 212 | TaskType: MAPPER |
| 213 | SubmissionTime: Sun Nov 18 22:03:20 CET 2012 |
| 214 | FinishTime: Sun Nov 18 22:04:37 CET 2012 |
| 215 | ProxyLifetime: P23DT18H8M54S |
| 216 | Status: FINISHED |
| 217 | StatusDesc: |
| 218 | ReservedTimeSlot: Sun Nov 18 22:04:00 CET 2012 - Sun Nov 18 22:35:00 CET 2012 |
| 219 | StartTime: Sun Nov 18 22:03:32 CET 2012 |
| 220 | |
| 221 | Allocation: |
| 222 | HostName: inula.man.poznan.pl |
| 223 | ProcessesCount: 1 |
| 224 | ProcessesGroupId: init:transp:dupCorep:turb |
| 225 | Status: FINISHED |
| 226 | |
| 227 | |
| 228 | #we can see the results: |
| 229 | ls -l J1353272598993_MAPPER_0845.out/ |
| 230 | total 60608 |
| 231 | -rw-r--r-- 1 plgmamonski plgrid-users 2503411 Nov 18 22:04 bdseq_equilibrium_0000.cpo |
| 232 | -rw-r--r-- 1 plgmamonski plgrid-users 2503411 Nov 18 22:04 bdseq_equilibrium_0001.cpo |
| 233 | -rw-r--r-- 1 plgmamonski plgrid-users 2503411 Nov 18 22:04 bdseq_equilibrium_0002.cpo |
| 234 | -rw-r--r-- 1 plgmamonski plgrid-users 2503411 Nov 18 22:04 bdseq_equilibrium_0003.cpo |
| 235 | -rw-r--r-- 1 plgmamonski plgrid-users 2503411 Nov 18 22:04 bdseq_equilibrium_0004.cpo |
| 236 | ... |