RIKEN ADVANCED INSTITUTE FOR COMPUTATIONAL SCIENCE Computer simulations create the future L VacYS @c`OaS WaQ`SbS 8dS b FW c ObW ESaSO`QV GSO E<>8A 4<6F B46

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RIKEN ADVANCED INSTITUTE FOR COMPUTATIONAL SCIENCE V e X Pa O`S SfSQcbSR 1. Work directory and shell script are created. Jobs are submitted to the scheduler. 2. Jobs are executed by the job scheduler. Current directory is set to the work directory. 3. Results are downloaded to OACIS server. The files are parsed and the records are updated. database job scheduler (ex. Torque) OACIS Computational Host qsub SSH login sh execute in the work directory the work directory is compressed into a single file. tar download (scp) & expand parse job status & update the record

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RIKEN ADVANCED INSTITUTE FOR COMPUTATIONAL SCIENCE http://crest-cassia.github.io/oacis/en/configuring_simulator.html Other samples for these scripts are found in our doc page. Load the input JSON file Make an XML file Spawn a subprocess

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RIKEN ADVANCED INSTITUTE FOR COMPUTATIONAL SCIENCE b `SUWabS` O FW c Ob ` Simulator name Definition of Parameters name, type, default value preprocess command 1optional2 command of Simulator JSON or Argument input A note of the Simulator List of executable hosts

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RIKEN ADVANCED INSTITUTE FOR COMPUTATIONAL SCIENCE Simulator name Definition of Parameters name, type, default value “echo” Select “Argument” Select “localhost”

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RIKEN ADVANCED INSTITUTE FOR COMPUTATIONAL SCIENCE HaW U FF OUS b • FSbbW U c FF OcbV `WhObW YSg a bVOb FF Q SQbW Wa OdOW OP S eWbV cb S bS`W U O Oaae `R ` Oaa V`OaS (At OACIS host) ssh-keygen -t rsa # ~/.ssh/id_rsa ~/.ssh/id_rsa.pub are created scp ~/.ssh/id_rsa.pub [USER]@[HOST_NAME]:~ # copy your public key to the remote host (At Computational host) cat ~/id_rsa.pub >> ~/.ssh/authorized_keys && chmod 600 ~/.ssh/authorized_keys # add your public key to the list of authorized keys (At OACIS host) eval `ssh-agent` # launch SSH agent ssh-add ~/.ssh/id_rsa # add key to agent. Enter your passphrase. ssh [USER]@[HOST_NAME] # verify that you don’t need to enter the passphrase bundle exec rake daemon:restart # launch OACIS

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RIKEN ADVANCED INSTITUTE FOR COMPUTATIONAL SCIENCE aSbbW U c ab host information for SSH connection Directory used for running jobs. OACIS will create sub directories under this. Maximum number of concurrent jobs. Worker checks the status of the remote host with this interval. The available range of the number of MPI processes and threads. List of executable simulators on that host. http://crest-cassia.github.io/oacis/en/tutorial.html#registering-a-host

RIKEN ADVANCED INSTITUTE FOR COMPUTATIONAL SCIENCE Parameters required by XSUB (Host Parameters) are automatically set.

RIKEN ADVANCED INSTITUTE FOR COMPUTATIONAL SCIENCE Host Parameters are required when creating a PS.

RIKEN ADVANCED INSTITUTE FOR COMPUTATIONAL SCIENCE RS ab`ObW • ` bVS Q bOW S` eVS`S B46> ~/.ssh/authorized_keys chmod 600 ~/.ssh/authorized_keys # testing connection docker exec -it -u oacis my_oacis bash -l ssh $USER@`hostname` # installing xsub git clone https://github.com/crest-cassia/xsub.git ~/xsub # edit ~/.bash_profile. Add the following two lines. export PATH="$HOME/xsub/bin:$PATH" export XSUB_TYPE="none"

RIKEN ADVANCED INSTITUTE FOR COMPUTATIONAL SCIENCE STW W U O ab:` c We can define a HostGroup, a group of Hosts. When creating a job, HostGroup can be specified as a destination of the submission. The jobs are submitted to one of the hosts in the HostGroup.

RIKEN ADVANCED INSTITUTE FOR COMPUTATIONAL SCIENCE click Hosts click “New Host Group” We can select a HostGroup as the place to which jobs are submitted.

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