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← 2019-09-13 09:45:04時点のリビジョン10 ⇥
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[English|[[WideAreaClusterSystem|Japanese]]] |
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'''2014年8月1日より正式運用を開始しました.''' | '''Operation ended on August 2019. Please refer to the top page for the new system.''' '''Test operation commenced on August 1, 2014.''' |
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== ログイン方法 == Tera''''''Term や putty などの SSH クライアントを利用して,開発サーバにログインして下さい. 開発サーバのホスト名は、学内利用者か学外利用者かによって異なります。 開発サーバはコンパイルや開発を行うためのサーバです. 開発サーバで大規模な計算処理を実行しないでください. 計算処理は [[../ClusterSystemUsage#A.2BMLgw5zDWW5.2BITGW5bNU-|Torque]] を介して、ジョブとしてクラスタ上で実行してください. また、開発サーバは,実際には2台のサーバを用意して負荷分散しています. === 学内利用者の場合 === 開発サーバのホスト名は wdev.edu.tut.ac.jp になります。 ユーザ名とパスワードは,情報メディア基盤センターから発行されたアカウントを入力して下さい。 |
== Logging In == Log in to the development server using an SSH client such as Tera''''''Term or putty. The different hostnames of the server are prepared for internal users and external users. The development server is a group of servers to develop and compile programs. Do not perform large-scale calculations on the server. Conduct the actual calculation on the cluster as a job via [[../ClusterSystemUsage#A.2BMLgw5zDWW5.2BITGW5bNU-|Torque]]. Note that the development server is redundantly configured using two servers to distribute the loading. === For Internal Users === The hostname of the development server is wdev.edu.tut.ac.jp. Enter your account information provided by the Information and Media Center in the user name and password field. |
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=== 学外利用者の場合 === 開発サーバは lark.imc.tut.ac.jp になります。 [[https://hpcportal.imc.tut.ac.jp|アカウント登録システム]]で発行されたアカウント(par+数字7桁)を使ってください。 学外利用者は公開鍵認証によってユーザを認証します。 [[https://hpcportal.imc.tut.ac.jp/profile|プロファイル変更]]で、自分の公開鍵を登録してください。 公開鍵の作成方法は[[../SSHClient|SSHクライアントの使い方]]を参照して下さい。 |
=== For External Users === The hostname of the development server is lark.imc.tut.ac.jp. Use an account provided through the [[https://hpcportal.imc.tut.ac.jp|account registration system]] (par + 7-digit numerals) to log in to the server. External users are identified through a public key authentication method. Register your public key on the [[https://hpcportal.imc.tut.ac.jp/profile|Change Profile page]]. Refer to the [[../SSHClient|How to use SSH client page]] for the procedure for creating a public key. |
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== キュー構成 == 以下は暫定構成です. ||キュー名||利用可能ノード数||経過時間制限/ジョブ||プロセス数制限/ノード||メモリ容量制限/ノード||備考|| ||wSrchq||30ノード||1時間||20||100GB|| || ||wLrchq||30ノード||336時間||20||100GB|| || == システム構成 == === ハードウェア構成 === ||分類||ホスト名||機種||CPU||主記憶容量||理論演算性能||アクセラレータ||OS|| ||開発処理サーバ||wdev||HA8000-tc/HT210||Xeon E5-2680 v2 2.8GHz 10コア×2||128GB||448GFLOPS||Xeon Phi||RHEL6.4|| ||演算ノード (Xeon Phi搭載)||wsnd00〜wsnd15||HA8000-tc/HT210||Xeon E5-2680 v2 2.8GHz 10コア×2||128GB||448GFLOPS||Xeon Phi||RHEL6.4|| ||演算ノード||wsnd16〜wsnd31||HA8000-tc/HT210||Xeon E5-2680 v2 2.8GHz 10コア×2||128GB||448GFLOPS|| ||RHEL6.4|| * wsnd17, wsnd31を利用したジョブ実行はできません. === ファイルシステム構成 === ||ホーム領域||{{{/home/数字/ユーザ名/}}}||教育用Windows端末と同じホーム領域が利用できます.教育用Windows端末からは {{{Z:\}}} として表示されます。|| ||ワーク領域||{{{/gpfs/work/ユーザ名/}}}|| 教育用Windows端末からは {{{V:\}}} として表示されます。 || ||ソフトウェア領域||{{{/common/}}}|| || ワーク領域は,{{{/work/ユーザ名/}}} というディレクトリ名でも参照することができます. === コンパイラ === ||コンパイラ||バージョン||インストールディレクトリ|| |
== Queue Configuration == The following is the tentative configuration. ||Queue name||No. of available nodes||Timeout/job||Max. processes/node||Max. memory/node||Notes|| ||wSrchq||30 nodes||1 hour||20||100GB|| || ||wLrchq||30 nodes||336 hours||20||100GB|| || == System Configuration == === Hardware Configuration === ||Category||Host name||Model||CPU||Main memory capacity||Computing performance||Accelerator ||OS|| ||Development processing server||wdev||HA8000-tc/HT210||Xeon E5-2680 v2 2.8GHz 10-core x 2||128GB||448GFLOPS||Xeon Phi||RHEL6.4|| ||Calculation node (Xeon Phi processors installed)||wsnd00〜wsnd15||HA8000-tc/HT210||Xeon E5-2680 v2 2.8GHz 10-core x 2||128GB||448GFLOPS||Xeon Phi||RHEL6.4|| ||Calculation node||wsnd16〜wsnd31||HA8000-tc/HT210||Xeon E5-2680 v2 2.8GHz 10-core x 2||128GB||448GFLOPS|| ||RHEL6.4|| * It is not possible to execute jobs using wsnd17 and wsnd31. === File System Configuration === ||Home area||/home/''numeric_characters/user_name''/||The same home area as the Windows terminal for education can be used. This appears as {{{Z:\}}} to Windows devices.|| ||Work area||/gpfs/work/''user_name''/|| This appears as {{{V:\}}} to the Windows terminal for education. || ||Software area||{{{/common/}}}|| || The work area can also be viewed through /work/''user_name/''. === Compiler === ||Compiler||Version||Installed directory|| |
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=== メッセージ通信ライブラリ(MPI) === ||ライブラリ||バージョン||インストールディレクトリ|| |
=== Message Passing Interface (MPI) === ||Library||Version||Installed directory|| |
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=== ソフトウェア構成 === ||ソフトウェア名称||バージョン||説明||インストールディレクトリ|| ||||||||構造解析|| ||ANSYS Multiphysics||14.5||マルチフィジックス解析ツール||/common/ansys14.5/|| ||ANSYS CFX||14.5||汎用熱流体解析ソフトウェア||/common/ansys14.5/|| ||ANSYS Fluet||14.5||汎用熱流体解析ソフトウェア||/common/ansys14.5/|| ||ANSYS LS-DYNA||14.5||落下・衝突解析ツール||/common/ansys14.5/|| ||ANSYS HFSS||15.0.3||高周波3次元電磁解解析ソフトウェア||/common/ansys_hfss-15.0.3/|| ||ABAQUS||6.12||汎用非線形有限要素解析プログラム||/common/abaqus-6.12-3/|| ||Patran||2013||CAE環境統合プリ・ポストソフトウェア||/common/patran-2013/|| ||DEFORM-3D||10.2||有限要素法を用いた3次元塑性加工シミュレーションソフト||/common/deform-3d-10.2/|| ||COMSOL||4.4||有限要素法を用いた汎用物理シミュレーションソフト||/common/comsol44/|| ||||||||計算物質科学|| ||PHASE (Serial版)||2014.01|| 第一原理擬ポテンシャルバンド計算ソフトウェア(Serial版)||/common/phase0-2014.01-serial/|| ||PHASE (Parallel版)||2014.01|| 第一原理擬ポテンシャルバンド計算ソフトウェア(Parallel版)||/common/phase0-2014.01-parallel/|| ||PHASE-Viewer||3.2.0||GUI 統合環境ソフトウェア||/common/phase-viewer-v320/|| ||UVSOR (Serial版)||3.42||第一原理擬ポテンシャル誘電応答解析ソフトウェア(Serial版)||/common/uvsor-v342-serial/|| ||UVSOR (Parallel版)||3.42||第一原理擬ポテンシャル誘電応答解析ソフトウェア(Parallel版)||/common/uvsor-v342-parallel/|| ||OpenMX (Serial版)||3.7||相対論的量子力学に基づくボトムアップ型の階層的第一原理量子シミュレーター(Serial版)||/common/openmx-3.7/|| ||OpenMX (Parallel版)||3.7||相対論的量子力学に基づくボトムアップ型の階層的第一原理量子シミュレーター(Parallel版)||/common/openmx-3.7/|| ||||||||計算化学|| |
=== Software Configuration === ||Software name||Version||Description||Installed directory|| ||||||||Structural analysis|| ||ANSYS Multiphysics||14.5||Multiphysics analysis tool||/common/ansys14.5/|| ||ANSYS CFX||14.5||General-purpose thermal-hydraulics software||/common/ansys14.5/|| ||ANSYS Fluet||14.5||General-purpose thermal-hydraulics software||/common/ansys14.5/|| ||ANSYS LS-DYNA||14.5||Crash analysis tool||/common/ansys14.5/|| ||ANSYS HFSS||15.0.3||High frequency 3D electromagnetic field analysis software||/common/ansys_hfss-15.0.3/|| ||ABAQUS||6.12||General-purpose non-linear finite element analysis program||/common/abaqus-6.12-3/|| ||Patran||2013||Integrated CAE environment pre/post-processing software||/common/patran-2013/|| ||DEFORM-3D||10.2||FEA-based 3D formation process simulation system||/common/deform-3d-10.2/|| ||COMSOL||4.4||FEA-based general-purpose physics simulation system||/common/comsol44/|| ||||||||Computational Materials Science|| ||PHASE (Serial version)||2014.01|| First-principles pseudopotentials calculation software (Serial version)||/common/phase0-2014.01-serial/|| ||PHASE (Parallel version)||2014.01|| First-principles pseudopotentials calculation software (Parallel version)||/common/phase0-2014.01-parallel/|| ||PHASE-Viewer||3.2.0||Integrated GUI environment software||/common/phase-viewer-v320/|| ||UVSOR (Serial version)||3.42||First-principles pseudopotentials dielectric-response analysis software (Serial version)||/common/uvsor-v342-serial/|| ||UVSOR (Parallel version)||3.42||First-principles pseudopotentials dielectric-response analysis software (Parallel version)||/common/uvsor-v342-parallel/|| ||OpenMX (Serial version)||3.7||First-principles quantum simulator based on the relative quantum mechanics bottom-up causation theory (Serial version)||/common/openmx-3.7/|| ||OpenMX (Parallel version)||3.7||First-principles quantum simulator based on the relative quantum mechanics bottom-up causation theory (Parallel version)||/common/openmx-3.7/|| ||||||||Computational chemistry|| |
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||NWChem (Serial版)||6.3.2||A comprehensive and scalable open-source solution for large scale molecular simulations(Serial版)||/common/nwchem-6.3.2-serial/|| ||NWChem (Parallel版)||6.3.2||A comprehensive and scalable open-source solution for large scale molecular simulations(Parallel版)||/common/nwchem-6.3.2-parallel/|| ||GAMESS (Serial版)||2013.R1||A general ab initio quantum chemistry package(Serial版)||/common/gamess-2013.r1-serial/|| ||GAMESS (Parallel版)||2013.R1||A general ab initio quantum chemistry package(Parallel版)||/common/gamess-2013.r1-parallel/|| |
||NWChem (Serial version)||6.3.2||A comprehensive and scalable open-source solution for large scale molecular simulations (Serial version)||/common/nwchem-6.3.2-serial/|| ||NWChem (Parallel version)||6.3.2||A comprehensive and scalable open-source solution for large scale molecular simulations (Parallel version)||/common/nwchem-6.3.2-parallel/|| ||GAMESS (Serial version)||2013.R1||A general ab initio quantum chemistry package (Serial version)||/common/gamess-2013.r1-serial/|| ||GAMESS (Parallel version)||2013.R1||A general ab initio quantum chemistry package (Parallel version)||/common/gamess-2013.r1-parallel/|| |
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||Amber (Serial版)||12||Molecular Dynamics Package(Serial版)||/common/amber12-serial/|| ||Amber (Parallel版)||12||Molecular Dynamics Package(Parallel版)||/common/amber12-parallel/|| ||Amber''''''Tools (Serial版)||12||Set of several independently developed packages that work well by themselves, and with Amber itself(Serial版)||/common/amber12-serial/AmberTools/|| ||Amber''''''Tools (Parallel版)||12||Set of several independently developed packages that work well by themselves, and with Amber itself(Parallel版)||/common/amber12-parallel/AmberTools/|| ||CONFLEX (Serial版)||7||汎用分子力学計算ソフトウエア(Serial版)||/common/conflex7/|| ||CONFLEX (Parallel版)||7||汎用分子力学計算ソフトウエア(Parallel版)||/common/conflex7/|| ||CHEMKIN-PRO||15112|| 詳細化学反応解析支援ソフトウエア||/common/chemkin-15112/|| ||||||||技術処理|| ||MATLAB||R2013a||数値計算言語||/common/matlab-R2013a/|| * ANSYS, ABAQUS, Patran, DEFORM-3D, COMSOL, GAUSSIAN, CHEMKIN-PRO, MATLABの利用には登録種別Aへの利用登録が必要です. * 登録種別Aの申請方法は http://imc.tut.ac.jp/research/form を参照してください. == ソフトウェアの利用方法 == ソフトウェアの利用方法については[[ClusterSystemUsage|クラスタシステムの利用方法]]をご覧ください。 == Xeon Phiの利用方法 == Xeon Phiの実行モデルとして,ネイティブ実行とオフロード実行の2つがあります.ネイティブ実行はXeon Phiを1つの計算ホストとして利用します.MPIプログラムを改変することなく利用できます.オフロード実行ではソースコードの特定の処理をXeon Phiにオフロードして実行します.OpenACCによりGPGPUを使うように,Xeon Phiを利用できます. === ネイティブ実行の方法 === ==== サンプルプログラムソース ==== |
||Amber (Serial version)||12||Molecular Dynamics Package (Serial version)||/common/amber12-serial/|| ||Amber (Parallel version)||12||Molecular Dynamics Package (Parallel version)||/common/amber12-parallel/|| ||Amber''''''Tools (Serial version)||12||Set of several independently developed packages that work well by themselves, and with Amber itself (Serial version)||/common/amber12-serial/AmberTools/|| ||Amber''''''Tools (Parallel version)||12||Set of several independently developed packages that work well by themselves, and with Amber itself (Parallel version)||/common/amber12-parallel/AmberTools/|| ||CONFLEX (Serial version)||7||General-purpose molecular dynamics computation software (Serial version)||/common/conflex7/|| ||CONFLEX (Parallel version)||7||General-purpose molecular dynamics computation software (Parallel version)||/common/conflex7/|| ||CHEMKIN-PRO||15112||Detailed chemical reaction analysis support software||/common/chemkin-15112/|| ||||||||Technical processing|| ||MATLAB||R2013a||Numerical computing language||/common/matlab-R2013a/|| ・You must be a Type A user to use ANSYS, ABAQUS, Patran, DEFORM-3D, COMSOL, GAUSSIAN, CHEMKIN-PRO, and MATLAB. ・To apply for registration as a Type A user, see: http://imc.tut.ac.jp/en/research/form. == Using the Software == For using the software, see [[en/ClusterSystemUsage|Using Cluster Systems]]. == Using the Xeon Phi Processor == Job execution using the Xeon Phi processor can be performed in native mode or offload mode. In native mode, the Xeon Phi processor is used as a single calculation node. The MPI program can be used as it is. In offload mode, a specific process within the source code can be offloaded to the Xeon Phi processor and executed. The Xeon Phi processor can be used in the same manner as GPGPU through OpenACC. === Native Execution === ==== Sample Source Program ==== |
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* MPI用のサンプルプログラムソース(sample_c_mpi.c)と内容は同じです.ファイル名のみ変更しました. ==== コンパイル方法 ==== 実行ファイルは,Xeon CPU用とXeon Phiコプロセッサ用,それぞれ作成する必要があります.コンパイラはintelコンパイラを利用してください. '''Xeon CPU用の実行ファイルの作成:''' |
* The source content is the same as the sample source program for MPI (sample_c_mpi.c). Only the file name has been changed. ==== Compiling ==== It is necessary to create an execution file for the Xeon CPU and another execution file for the Xeon Phi coprocessor. Use the Intel compiler. '''Creating the execution file for the Xeon CPU''' |
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'''Xeon Phi用の実行ファイルの作成:''' | '''Creating the execution file for the Xeon Phi coprocessor''' |
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'''注意点''' Xeon Phi用の実行ファイル名には「.mic」を付与してください. 実行ファイル名は,「.mic」を除き,CPU用,Phi用で一致させてください. ==== ジョブ投入用サンプルスクリプト ==== |
'''Notes''' Add “.mic” to the execution file for the Xeon Phi coprocessor. Apart from “.mic”, the Names of the execution files for the Xeon CPU and the Xeon Phi coprocessor must be identical. ==== Sample Script to Submit Jobs ==== |
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'''#PBS -q について''' キューは「wSrchq」,「wLrchq」,どちらでも利用できます. '''#PBS -l について''' 「#PBS -l」における「:Phi」は必ずつけるようにしてください.Xeon Phi搭載演算ノードを選択して利用するための設定です. '''MIC0_PROCS, MIC1_PROCS について''' 本システムは1演算ノードに2基のXeon Phiが搭載されています.「MIC0_PROCS=」「MIC1_PROCS=」は演算ノードに搭載された2基のXeon Phiそれぞれについて,起動プロセス数を指定するために利用します.上記のスクリプトファイルでは「nodes=3」により3台の演算ノードが利用され,各演算ノードの1つのXeon Phiは3つのプロセスを起動し,もう一つのXeon Phiは1つのプロセスを起動することになります.なお,Xeon Phiは1基あたり60コア/240スレッドです.「MIC0_PROCS=」「MIC1_PROCS=」で指定する値は240以下としてください. '''並列数について''' 上記のスクリプトファイルでは,合計18のプロセスが起動され並列に実行されます.「nodes=3」によりwsnd00, wsnd02, wsnd03が選択されたとします.また,演算ノードに搭載される2基のXeon Phiを区別するため,Xeon Phi0,Xeon Phi1と呼ぶことにします.この場合,wsnd00で2プロセス,wsnd00のXeon Phi0で3プロセス,wsnd00のXeon Phi1で1プロセス,wsnd02で2プロセス,wsnd02のXeon Phi0で3プロセス,wsnd02のXeon Phi1で1プロセス,wsnd03で2プロセス,wsnd03のXeon Phi0で3プロセス,wsnd03のXeon Phi1で1プロセスが起動され,合計18プロセスとなります. '''その他''' ジョブ実行キュー,nodes=,ppn=,MIC0_PROCS=,MIC0_PROCS=の各値,実行ファイル名(上記スクリプトファイルではsample_phi)は,必要に応じて適切に変更してください. === オフロード実行方法 === ==== サンプルプログラムソース ==== |
'''Note on #PBS -q''' A job can be submitted to either the '''wSrchq''' or '''wLrchq''' queues. '''Note on #PBS -l''' Always specify :'''Phi''' in '''#PBS –l'''. This is the setting to specify the calculation node equipped with the Xeon Phi processors. '''Note on MIC0_PROCS and MIC1_PROCS''' Two Xeon Phi processors are installed on a single node in the system. '''MIC0_PROCS=''' and '''MIC1_PROCS=''' are used to specify the number of processes to invoke on the respective Xeon Phi processor on the calculation node. In the script file shown above, three calculation nodes are used by specifying '''nodes=3'''. One of the Xeon Phi processors on each node invokes 3 processes while the other invokes 1 process. The Xeon Phi’s capacity is 60 core/240 threads per processor. The value specified in '''MIC0_PROCS=''' and '''MIC1_PROCS=''' must be 240 or less. '''Note on the number of parallel process''' In the script file shown above invokes 18 processes in total and executes them in parallel. Assume that wsnd00, wsnd02, and wsnd03 are selected by '''nodes=3'''. To distinguish the two Xeon Phi processors on the calculation node, they are named '''Xeon Phi0''' and '''Xeon Phi1''', respectively. A total of 18 processes are invoked in this example: 2 processes in wsnd00, 3 processes in Xeon Phi0 in wsnd00, 1 process in Xeon Phi1 in wsnd00, 2 processes in wsnd02, 3 processes in Xeon Phi0 in wsnd02, 1 process in Xeon Phi1 in wsnd02, 2 processes in wsnd03, 3 processes in Xeon Phi0 in wsnd03, and 1 process in Xeon Phi1 in wsnd03. '''Others''' Change the values for the following options as appropriate: the queues to submit the job, the values for nodes=,ppn=, MIC0_PROCS=, and MIC0_PROCS=, and the execution file name ('''sample_phi''' in the above script file). === Offload Execution === ==== Sample Source Program ==== |
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場所: /common/intel-2013SP1/composer_xe_2013_sp1.0.080/Samples/en_US/C++/mic_samples/LEO_tutorial/tbo_sort.c ==== コンパイル方法 ==== コンパイルを行う際は「-openmp」オプションを指定してください.コンパイラはintelコンパイラを利用してください. % icc -openmp tbo_sort.c -o tbo_sort ==== ジョブ投入用サンプルスクリプト ==== |
Location: /common/intel-2013SP1/composer_xe_2013_sp1.0.080/Samples/en_US/C++/mic_samples/LEO_tutorial/tbo_sort.c ==== Compiling ==== When compiling, always specify the '''-openmp''' option. Specify an Intel complier. % icc -openmp tbo_sort.c -o tbo_sort ==== Sample Script to Submit Jobs ==== |
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'''#PBS -q について''' キューは「wSrchq」,「wLrchq」,どちらでも利用できます. '''#PBS -l について''' 「#PBS -l nodes=1:ppn=20:Phi」を変更する必要はありません.1台のXeon Phi搭載演算ノードを占有して利用することを意味しています. '''その他''' ジョブ実行キュー,実行ファイル名(上記スクリプトファイルではtbo_sort)は,必要に応じて適切に変更してください. === 制限事項 === ● mpirunの-machinefileに指定するXeon PhiはIPアドレスにする必要があります.通常,-machinefileの設定値はmkmachinefile.shで自動生成されます. ● MPI通信はtcpのみ利用可能です.mkmachinefile.shにおいてtcpを利用するように設定しています. ● 2015年10月時点,ネイティブ実行可能なノードはwsnd[00-09,14,15]です.ホストを明示的に指定しない限りジョブスケジューラが自動的に実行可能なノードを選択してくれます. |
'''Note on #PBS -q''' A job can be submitted to either the '''wSrchq''' or '''wLrchq''' queues. '''Note on #PBS -l''' There is no need to change '''#PBS -l nodes=1:ppn=20:Phi'''. This line means to use a single calculation node on Xeon Phi exclusively. '''Others''' Change the queue to submit the job and the execution file name ('''tbo_sort''' in the above script file) as appropriate. === Limitations === ● Specify the IP address of Xeon Phi when using '''mpirun –machinefile'''. Usually, the value for '''–machinefile''' is generated automatically by mkmachinefile.sh. ● Only tcp is available as the MPI communication. tcp is used by default in mkmachinefile.sh. ● Native execution is available on wsnd 00 to 09, 14, and 15 as of October 2015. The job scheduler automatically chooses the node unless otherwise specified explicitly. |
[English|Japanese]
Wide-Area Coordinated Cluster System for Education and Research
Operation ended on August 2019. Please refer to the top page for the new system.
Test operation commenced on August 1, 2014.
目次
Logging In
Log in to the development server using an SSH client such as TeraTerm or putty. The different hostnames of the server are prepared for internal users and external users.
The development server is a group of servers to develop and compile programs. Do not perform large-scale calculations on the server. Conduct the actual calculation on the cluster as a job via Torque.
Note that the development server is redundantly configured using two servers to distribute the loading.
For Internal Users
The hostname of the development server is wdev.edu.tut.ac.jp. Enter your account information provided by the Information and Media Center in the user name and password field.
$ ssh wdev.edu.tut.ac.jp
For External Users
The hostname of the development server is lark.imc.tut.ac.jp. Use an account provided through the account registration system (par + 7-digit numerals) to log in to the server. External users are identified through a public key authentication method. Register your public key on the Change Profile page. Refer to the How to use SSH client page for the procedure for creating a public key.
$ ssh lark.imc.tut.ac.jp
Queue Configuration
The following is the tentative configuration.
Queue name |
No. of available nodes |
Timeout/job |
Max. processes/node |
Max. memory/node |
Notes |
wSrchq |
30 nodes |
1 hour |
20 |
100GB |
|
wLrchq |
30 nodes |
336 hours |
20 |
100GB |
|
System Configuration
Hardware Configuration
Category |
Host name |
Model |
CPU |
Main memory capacity |
Computing performance |
Accelerator |
OS |
Development processing server |
wdev |
HA8000-tc/HT210 |
Xeon E5-2680 v2 2.8GHz 10-core x 2 |
128GB |
448GFLOPS |
Xeon Phi |
RHEL6.4 |
Calculation node (Xeon Phi processors installed) |
wsnd00〜wsnd15 |
HA8000-tc/HT210 |
Xeon E5-2680 v2 2.8GHz 10-core x 2 |
128GB |
448GFLOPS |
Xeon Phi |
RHEL6.4 |
Calculation node |
wsnd16〜wsnd31 |
HA8000-tc/HT210 |
Xeon E5-2680 v2 2.8GHz 10-core x 2 |
128GB |
448GFLOPS |
|
RHEL6.4 |
* It is not possible to execute jobs using wsnd17 and wsnd31.
File System Configuration
Home area |
/home/numeric_characters/user_name/ |
The same home area as the Windows terminal for education can be used. This appears as Z:\ to Windows devices. |
Work area |
/gpfs/work/user_name/ |
This appears as V:\ to the Windows terminal for education. |
Software area |
/common/ |
|
The work area can also be viewed through /work/user_name/.
Compiler
Compiler |
Version |
Installed directory |
Intel |
14.0.0 Build 20130728 |
/common/intel-2013SP1/ |
PGI |
14.3-0 |
/common/pgi-14.3/ |
GNU |
4.4.7 |
/usr/bin/ |
Message Passing Interface (MPI)
Library |
Version |
Installed directory |
Intel MPI |
14.0.0 Build 20130728 |
/common/intel-2013SP1/ |
Open MPI |
1.6.5 |
/common/openmpi-1.6.5/ |
MPICH 3 |
3.1 |
/common/mpich-3.1/ |
MPICH 1 |
1.2.7p1 |
/common/mpich-1.2.7p1/ |
Software Configuration
Software name |
Version |
Description |
Installed directory |
Structural analysis |
|||
ANSYS Multiphysics |
14.5 |
Multiphysics analysis tool |
/common/ansys14.5/ |
ANSYS CFX |
14.5 |
General-purpose thermal-hydraulics software |
/common/ansys14.5/ |
ANSYS Fluet |
14.5 |
General-purpose thermal-hydraulics software |
/common/ansys14.5/ |
ANSYS LS-DYNA |
14.5 |
Crash analysis tool |
/common/ansys14.5/ |
ANSYS HFSS |
15.0.3 |
High frequency 3D electromagnetic field analysis software |
/common/ansys_hfss-15.0.3/ |
ABAQUS |
6.12 |
General-purpose non-linear finite element analysis program |
/common/abaqus-6.12-3/ |
Patran |
2013 |
Integrated CAE environment pre/post-processing software |
/common/patran-2013/ |
DEFORM-3D |
10.2 |
FEA-based 3D formation process simulation system |
/common/deform-3d-10.2/ |
COMSOL |
4.4 |
FEA-based general-purpose physics simulation system |
/common/comsol44/ |
Computational Materials Science |
|||
PHASE (Serial version) |
2014.01 |
First-principles pseudopotentials calculation software (Serial version) |
/common/phase0-2014.01-serial/ |
PHASE (Parallel version) |
2014.01 |
First-principles pseudopotentials calculation software (Parallel version) |
/common/phase0-2014.01-parallel/ |
PHASE-Viewer |
3.2.0 |
Integrated GUI environment software |
/common/phase-viewer-v320/ |
UVSOR (Serial version) |
3.42 |
First-principles pseudopotentials dielectric-response analysis software (Serial version) |
/common/uvsor-v342-serial/ |
UVSOR (Parallel version) |
3.42 |
First-principles pseudopotentials dielectric-response analysis software (Parallel version) |
/common/uvsor-v342-parallel/ |
OpenMX (Serial version) |
3.7 |
First-principles quantum simulator based on the relative quantum mechanics bottom-up causation theory (Serial version) |
/common/openmx-3.7/ |
OpenMX (Parallel version) |
3.7 |
First-principles quantum simulator based on the relative quantum mechanics bottom-up causation theory (Parallel version) |
/common/openmx-3.7/ |
Computational chemistry |
|||
Gaussian |
09 Rev.C.01 |
Electronic structure program |
/common/gaussian09-C.01/ |
NWChem (Serial version) |
6.3.2 |
A comprehensive and scalable open-source solution for large scale molecular simulations (Serial version) |
/common/nwchem-6.3.2-serial/ |
NWChem (Parallel version) |
6.3.2 |
A comprehensive and scalable open-source solution for large scale molecular simulations (Parallel version) |
/common/nwchem-6.3.2-parallel/ |
GAMESS (Serial version) |
2013.R1 |
A general ab initio quantum chemistry package (Serial version) |
/common/gamess-2013.r1-serial/ |
GAMESS (Parallel version) |
2013.R1 |
A general ab initio quantum chemistry package (Parallel version) |
/common/gamess-2013.r1-parallel/ |
MPQC |
3.0-alpha |
Massively Parallel Quantum Chemistry Program |
/common/mpqc-3.0.0a-2014.03.20/ |
Amber (Serial version) |
12 |
Molecular Dynamics Package (Serial version) |
/common/amber12-serial/ |
Amber (Parallel version) |
12 |
Molecular Dynamics Package (Parallel version) |
/common/amber12-parallel/ |
AmberTools (Serial version) |
12 |
Set of several independently developed packages that work well by themselves, and with Amber itself (Serial version) |
/common/amber12-serial/AmberTools/ |
AmberTools (Parallel version) |
12 |
Set of several independently developed packages that work well by themselves, and with Amber itself (Parallel version) |
/common/amber12-parallel/AmberTools/ |
CONFLEX (Serial version) |
7 |
General-purpose molecular dynamics computation software (Serial version) |
/common/conflex7/ |
CONFLEX (Parallel version) |
7 |
General-purpose molecular dynamics computation software (Parallel version) |
/common/conflex7/ |
CHEMKIN-PRO |
15112 |
Detailed chemical reaction analysis support software |
/common/chemkin-15112/ |
Technical processing |
|||
MATLAB |
R2013a |
Numerical computing language |
/common/matlab-R2013a/ |
・You must be a Type A user to use ANSYS, ABAQUS, Patran, DEFORM-3D, COMSOL, GAUSSIAN, CHEMKIN-PRO, and MATLAB.
・To apply for registration as a Type A user, see: http://imc.tut.ac.jp/en/research/form.
Using the Software
For using the software, see Using Cluster Systems.
Using the Xeon Phi Processor
Job execution using the Xeon Phi processor can be performed in native mode or offload mode. In native mode, the Xeon Phi processor is used as a single calculation node. The MPI program can be used as it is. In offload mode, a specific process within the source code can be offloaded to the Xeon Phi processor and executed. The Xeon Phi processor can be used in the same manner as GPGPU through OpenACC.
Native Execution
Sample Source Program
sample_phi.c
#include <stdio.h> #include <mpi.h> int main(int argc, char **argv) { int myid, nprocs; char hname[128]=""; MPI_Init(&argc,&argv); MPI_Comm_size(MPI_COMM_WORLD,&nprocs); MPI_Comm_rank(MPI_COMM_WORLD,&myid); gethostname(hname,sizeof(hname)); if (myid==0) printf ("NUMBER OF PROCESSES: %3d\n", nprocs); printf("HELLO WORLD! (HOST NAME: %10s, MYID: %3d)\n", hname, myid); MPI_Finalize(); return 0; }
* The source content is the same as the sample source program for MPI (sample_c_mpi.c). Only the file name has been changed.
Compiling
It is necessary to create an execution file for the Xeon CPU and another execution file for the Xeon Phi coprocessor. Use the Intel compiler.
Creating the execution file for the Xeon CPU
% mpiicc sample_phi.c -o sample_phi
Creating the execution file for the Xeon Phi coprocessor
% mpiicc -mmic sample_phi.c -o sample_phi.mic
Notes
Add “.mic” to the execution file for the Xeon Phi coprocessor.
Apart from “.mic”, the Names of the execution files for the Xeon CPU and the Xeon Phi coprocessor must be identical.
Sample Script to Submit Jobs
phi_native.sh
### sample #!/bin/sh #PBS -q wSrchq #PBS -l nodes=3:ppn=2:Phi MIC0_PROCS=3 MIC1_PROCS=1 source /common/torque/MIC/mkmachinefile.sh cd $PBS_O_WORKDIR mpirun -machinefile ${MACHINEFILE} -n ${PBS_NP} ./sample_phi
Note on #PBS -q
A job can be submitted to either the wSrchq or wLrchq queues.
Note on #PBS -l
Always specify :Phi in #PBS –l. This is the setting to specify the calculation node equipped with the Xeon Phi processors.
Note on MIC0_PROCS and MIC1_PROCS
Two Xeon Phi processors are installed on a single node in the system. MIC0_PROCS= and MIC1_PROCS= are used to specify the number of processes to invoke on the respective Xeon Phi processor on the calculation node. In the script file shown above, three calculation nodes are used by specifying nodes=3. One of the Xeon Phi processors on each node invokes 3 processes while the other invokes 1 process. The Xeon Phi’s capacity is 60 core/240 threads per processor. The value specified in MIC0_PROCS= and MIC1_PROCS= must be 240 or less.
Note on the number of parallel process
In the script file shown above invokes 18 processes in total and executes them in parallel. Assume that wsnd00, wsnd02, and wsnd03 are selected by nodes=3. To distinguish the two Xeon Phi processors on the calculation node, they are named Xeon Phi0 and Xeon Phi1, respectively. A total of 18 processes are invoked in this example: 2 processes in wsnd00, 3 processes in Xeon Phi0 in wsnd00, 1 process in Xeon Phi1 in wsnd00, 2 processes in wsnd02, 3 processes in Xeon Phi0 in wsnd02, 1 process in Xeon Phi1 in wsnd02, 2 processes in wsnd03, 3 processes in Xeon Phi0 in wsnd03, and 1 process in Xeon Phi1 in wsnd03.
Others
Change the values for the following options as appropriate: the queues to submit the job, the values for nodes=,ppn=, MIC0_PROCS=, and MIC0_PROCS=, and the execution file name (sample_phi in the above script file).
Offload Execution
Sample Source Program
tbo_sort.c
Location: /common/intel-2013SP1/composer_xe_2013_sp1.0.080/Samples/en_US/C++/mic_samples/LEO_tutorial/tbo_sort.c
Compiling
When compiling, always specify the -openmp option. Specify an Intel complier.
% icc -openmp
tbo_sort.c -o tbo_sort
Sample Script to Submit Jobs
phi_offload.sh
### sample #!/bin/sh #PBS -q wSrchq #PBS -l nodes=1:ppn=20:Phi cd $PBS_O_WORKDIR ./tbo_sort
Note on #PBS -q
A job can be submitted to either the wSrchq or wLrchq queues.
Note on #PBS -l
There is no need to change #PBS -l nodes=1:ppn=20:Phi. This line means to use a single calculation node on Xeon Phi exclusively.
Others
Change the queue to submit the job and the execution file name (tbo_sort in the above script file) as appropriate.
Limitations
● Specify the IP address of Xeon Phi when using mpirun –machinefile. Usually, the value for –machinefile is generated automatically by mkmachinefile.sh.
● Only tcp is available as the MPI communication. tcp is used by default in mkmachinefile.sh.
● Native execution is available on wsnd 00 to 09, 14, and 15 as of October 2015. The job scheduler automatically chooses the node unless otherwise specified explicitly.