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RIKEN ADVANCED INSTITUTE FOR COMPUTATIONAL SCIENCE Computer simulations create the future " " 2!#! "! -2 -() R- (

理化学研究所 計算科学研究センター(R-CCS) | RIKEN R-CCS...Command ~/sim_ns_model/run.sh Input Type Argument Executable_on localhost Key Type Default Val l Integer 200

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Page 1: 理化学研究所 計算科学研究センター(R-CCS) | RIKEN R-CCS...Command ~/sim_ns_model/run.sh Input Type Argument Executable_on localhost Key Type Default Val l Integer 200

RIKEN ADVANCED INSTITUTE FOR COMPUTATIONAL SCIENCE

Computer simulations create the future

2 - 2

-() R-

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Page 2: 理化学研究所 計算科学研究センター(R-CCS) | RIKEN R-CCS...Command ~/sim_ns_model/run.sh Input Type Argument Executable_on localhost Key Type Default Val l Integer 200

RIKEN ADVANCED INSTITUTE FOR COMPUTATIONAL SCIENCE �

• :– 2 A -– 2• : :• :

– & • : & & :– 2 - - 2– : &• & 2 -• A• &

– & :•

Page 3: 理化学研究所 計算科学研究センター(R-CCS) | RIKEN R-CCS...Command ~/sim_ns_model/run.sh Input Type Argument Executable_on localhost Key Type Default Val l Integer 200

RIKEN ADVANCED INSTITUTE FOR COMPUTATIONAL SCIENCE

- - /

•– - - - - - - - / /– - - - - . - - - / /

Page 4: 理化学研究所 計算科学研究センター(R-CCS) | RIKEN R-CCS...Command ~/sim_ns_model/run.sh Input Type Argument Executable_on localhost Key Type Default Val l Integer 200

RIKEN ADVANCED INSTITUTE FOR COMPUTATIONAL SCIENCE

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

qsubSSH 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

Page 5: 理化学研究所 計算科学研究センター(R-CCS) | RIKEN R-CCS...Command ~/sim_ns_model/run.sh Input Type Argument Executable_on localhost Key Type Default Val l Integer 200

RIKEN ADVANCED INSTITUTE FOR COMPUTATIONAL SCIENCE

A , A

, A A A A D A

• A A A 0 C A 0(, ) A D A A

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Page 6: 理化学研究所 計算科学研究センター(R-CCS) | RIKEN R-CCS...Command ~/sim_ns_model/run.sh Input Type Argument Executable_on localhost Key Type Default Val l Integer 200

RIKEN ADVANCED INSTITUTE FOR COMPUTATIONAL SCIENCE

<B B 5 5

• -I B 5 5

– . 5 5 5 < 5 B5 5 B < B 5 "• 5 B "B , , , """ ,

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– 3< < B 5 5 :4 "> B N 5 < <5 5 5 "• J 4

Page 7: 理化学研究所 計算科学研究センター(R-CCS) | RIKEN R-CCS...Command ~/sim_ns_model/run.sh Input Type Argument Executable_on localhost Key Type Default Val l Integer 200

RIKEN ADVANCED INSTITUTE FOR COMPUTATIONAL SCIENCE

,

•. . , .

, , . ,

wrap script

simulation program

run.py

_input.json

a.out

1. Input parameters given by OACIS

2. parse command line args and make an XML file

3. launch the simulation program as a subprocess

Page 8: 理化学研究所 計算科学研究センター(R-CCS) | RIKEN R-CCS...Command ~/sim_ns_model/run.sh Input Type Argument Executable_on localhost Key Type Default Val l Integer 200

RIKEN ADVANCED INSTITUTE FOR COMPUTATIONAL SCIENCE �

http://crest-cassia.github.io/oacis/en/configuring_simulator.htmlOther samples for these scripts are found in our doc page.

Load the input JSON file

Make an XML file

Spawn a subprocess

Page 9: 理化学研究所 計算科学研究センター(R-CCS) | RIKEN R-CCS...Command ~/sim_ns_model/run.sh Input Type Argument Executable_on localhost Key Type Default Val l Integer 200

RIKEN ADVANCED INSTITUTE FOR COMPUTATIONAL SCIENCE

.

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{"flow": 0.235, "velocity": 1.245 }

Page 10: 理化学研究所 計算科学研究センター(R-CCS) | RIKEN R-CCS...Command ~/sim_ns_model/run.sh Input Type Argument Executable_on localhost Key Type Default Val l Integer 200

RIKEN ADVANCED INSTITUTE FOR COMPUTATIONAL SCIENCE

��

Simulator name

Definition of Parametersname, type, default value

preprocess command�optional�

command of Simulator

JSON or Argument input

A note of the Simulator

List of executable hosts

Page 11: 理化学研究所 計算科学研究センター(R-CCS) | RIKEN R-CCS...Command ~/sim_ns_model/run.sh Input Type Argument Executable_on localhost Key Type Default Val l Integer 200

RIKEN ADVANCED INSTITUTE FOR COMPUTATIONAL SCIENCE

,,. , .

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Page 12: 理化学研究所 計算科学研究センター(R-CCS) | RIKEN R-CCS...Command ~/sim_ns_model/run.sh Input Type Argument Executable_on localhost Key Type Default Val l Integer 200

RIKEN ADVANCED INSTITUTE FOR COMPUTATIONAL SCIENCE

. .

��

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. ,

Duplicating Simulator

Page 13: 理化学研究所 計算科学研究センター(R-CCS) | RIKEN R-CCS...Command ~/sim_ns_model/run.sh Input Type Argument Executable_on localhost Key Type Default Val l Integer 200

RIKEN ADVANCED INSTITUTE FOR COMPUTATIONAL SCIENCE ��

• , ,- , , . 1 "• ,, "

Page 14: 理化学研究所 計算科学研究センター(R-CCS) | RIKEN R-CCS...Command ~/sim_ns_model/run.sh Input Type Argument Executable_on localhost Key Type Default Val l Integer 200

RIKEN ADVANCED INSTITUTE FOR COMPUTATIONAL SCIENCE ��

Simulator name

Definition of Parametersname, type, default value

“echo”

Select “Argument”

Select “localhost”

Page 15: 理化学研究所 計算科学研究センター(R-CCS) | RIKEN R-CCS...Command ~/sim_ns_model/run.sh Input Type Argument Executable_on localhost Key Type Default Val l Integer 200

RIKEN ADVANCED INSTITUTE FOR COMPUTATIONAL SCIENCE ��

• . 2 2

– .

– 2 -

Key Description

l Road length

v Maximum velocity

rho Car density

p deceleration probability

t_init initialization steps

t_measure measurement steps

mkdir temp && cd temp~/sim_ns_model/run.sh 200 5 0.3 0.1 100 300 12345

docker exec -it -u oacis my_oacis bash -l

Page 16: 理化学研究所 計算科学研究センター(R-CCS) | RIKEN R-CCS...Command ~/sim_ns_model/run.sh Input Type Argument Executable_on localhost Key Type Default Val l Integer 200

RIKEN ADVANCED INSTITUTE FOR COMPUTATIONAL SCIENCE ��

• , ., ,,

Item Contents

Name MySimulator

Definition of Parameters L, v, rho, p, t_init, t_measure

Command ~/sim_ns_model/run.sh

Input Type Argument

Executable_on localhost

Key Type Default Val

l Integer 200

v Integer 5

rho Float 0.3

p Float 0.1

t_init Integer 100

t_measure Integer 300

Click

“Add Parameter”

to increase the

number of

parameters.

Page 17: 理化学研究所 計算科学研究センター(R-CCS) | RIKEN R-CCS...Command ~/sim_ns_model/run.sh Input Type Argument Executable_on localhost Key Type Default Val l Integer 200

RIKEN ADVANCED INSTITUTE FOR COMPUTATIONAL SCIENCE ��

• .

– .. .

Page 18: 理化学研究所 計算科学研究センター(R-CCS) | RIKEN R-CCS...Command ~/sim_ns_model/run.sh Input Type Argument Executable_on localhost Key Type Default Val l Integer 200

RIKEN ADVANCED INSTITUTE FOR COMPUTATIONAL SCIENCE

-/ / -

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Page 19: 理化学研究所 計算科学研究センター(R-CCS) | RIKEN R-CCS...Command ~/sim_ns_model/run.sh Input Type Argument Executable_on localhost Key Type Default Val l Integer 200

RIKEN ADVANCED INSTITUTE FOR COMPUTATIONAL SCIENCE ��

.

• .. .

• .

Seehttp://crest-cassia.github.io/oacis/en/install.html

Page 20: 理化学研究所 計算科学研究センター(R-CCS) | RIKEN R-CCS...Command ~/sim_ns_model/run.sh Input Type Argument Executable_on localhost Key Type Default Val l Integer 200

RIKEN ADVANCED INSTITUTE FOR COMPUTATIONAL SCIENCE

. .

��

• . ... . - - . .

(At OACIS host)ssh-keygen -t rsa # ~/.ssh/id_rsa ~/.ssh/id_rsa.pub are createdscp ~/.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 agentssh-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

Page 21: 理化学研究所 計算科学研究センター(R-CCS) | RIKEN R-CCS...Command ~/sim_ns_model/run.sh Input Type Argument Executable_on localhost Key Type Default Val l Integer 200

RIKEN ADVANCED INSTITUTE FOR COMPUTATIONAL SCIENCE

. - .

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Host my_serverHostName my_server.example.comPort 22User muraseIdentityFile ~/.ssh/id_rsa

Host my_server2HostName 127.0.0.1Port 22User muraseIdentityFile ~/.ssh/id_rsa

Page 22: 理化学研究所 計算科学研究センター(R-CCS) | RIKEN R-CCS...Command ~/sim_ns_model/run.sh Input Type Argument Executable_on localhost Key Type Default Val l Integer 200

RIKEN ADVANCED INSTITUTE FOR COMPUTATIONAL SCIENCE ��

• 1 8 . 1 ? 1 1 1 181 B 1

• A . . 1 1 18 11 1 8 . 1 ? 1 ? 1

?. . ? .1 8 1 88 1

• ?.B 1 1 ? 1

Refer to https://github.com/crest-cassia/xsub

Page 23: 理化学研究所 計算科学研究センター(R-CCS) | RIKEN R-CCS...Command ~/sim_ns_model/run.sh Input Type Argument Executable_on localhost Key Type Default Val l Integer 200

RIKEN ADVANCED INSTITUTE FOR COMPUTATIONAL SCIENCE

, E : 01

��

• . 6 FE E E

– : E 6 EE : E F "6 6C E6 F ": E

• E I " C

• FCC E E CBF - 0/ FC 6F B 6 C F CE "

export PATH="$HOME/xsub/bin:$PATH"export XSUB_TYPE="none"

Page 24: 理化学研究所 計算科学研究センター(R-CCS) | RIKEN R-CCS...Command ~/sim_ns_model/run.sh Input Type Argument Executable_on localhost Key Type Default Val l Integer 200

RIKEN ADVANCED INSTITUTE FOR COMPUTATIONAL SCIENCE

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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

Page 25: 理化学研究所 計算科学研究センター(R-CCS) | RIKEN R-CCS...Command ~/sim_ns_model/run.sh Input Type Argument Executable_on localhost Key Type Default Val l Integer 200

RIKEN ADVANCED INSTITUTE FOR COMPUTATIONAL SCIENCE ��

Parameters required by XSUB (Host Parameters)

are automatically set.

Page 26: 理化学研究所 計算科学研究センター(R-CCS) | RIKEN R-CCS...Command ~/sim_ns_model/run.sh Input Type Argument Executable_on localhost Key Type Default Val l Integer 200

RIKEN ADVANCED INSTITUTE FOR COMPUTATIONAL SCIENCE ��

Host Parameters are required when creating a PS.

Page 27: 理化学研究所 計算科学研究センター(R-CCS) | RIKEN R-CCS...Command ~/sim_ns_model/run.sh Input Type Argument Executable_on localhost Key Type Default Val l Integer 200

RIKEN ADVANCED INSTITUTE FOR COMPUTATIONAL SCIENCE ��

• , , ., , ,

docker exec -u oacis my_oacis cat /home/oacis/.ssh/id_rsa.pub >> ~/.ssh/authorized_keyschmod 600 ~/.ssh/authorized_keys

# testing connectiondocker exec -it -u oacis my_oacis bash –l# edit (~/.ssh/config file)ssh my_hostexit # logout from computational hostexit # logout from container

# installing xsub on computational hostgit 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"

Page 28: 理化学研究所 計算科学研究センター(R-CCS) | RIKEN R-CCS...Command ~/sim_ns_model/run.sh Input Type Argument Executable_on localhost Key Type Default Val l Integer 200

RIKEN ADVANCED INSTITUTE FOR COMPUTATIONAL SCIENCE

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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.

Page 29: 理化学研究所 計算科学研究センター(R-CCS) | RIKEN R-CCS...Command ~/sim_ns_model/run.sh Input Type Argument Executable_on localhost Key Type Default Val l Integer 200

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.

Page 30: 理化学研究所 計算科学研究センター(R-CCS) | RIKEN R-CCS...Command ~/sim_ns_model/run.sh Input Type Argument Executable_on localhost Key Type Default Val l Integer 200

RIKEN ADVANCED INSTITUTE FOR COMPUTATIONAL SCIENCE

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