From 0d87e46336266d393221d9a9bbbbcf4d809b8c59 Mon Sep 17 00:00:00 2001 From: Kazuyoshi Yoshimi Date: Fri, 14 Aug 2026 17:32:57 +0900 Subject: [PATCH 1/5] Add citation info, supported supercomputer list, and documentation fixes - Add a Citation section (paper reference + BibTeX for doi:10.1080/27660400.2025.2564055) to README and the ja/en manuals - List supercomputer systems where moller is pre-installed (ISSP kugui/ohtaka, Tohoku AOBA, Kyushu Genkai) and note that Miyabi is supported with pre-installation in progress, with links to each system's website (English pages in English documents) - Add acknowledgment of JST Moonshot R&D Program (JPMJMS24A3) for the Miyabi/Genkai installations - Unify license notation to GPL-3.0-or-later across README and manuals - Document pbs/default platform values in the file-format reference - Fix typos (Institute, Coordinator, parallel, batch), a broken inline literal, a duplicate Sphinx label, and tab characters in YAML examples; ja/en manuals now build with zero warnings - Add CLAUDE.md with repository guidance for Claude Code Co-Authored-By: Claude Fable 5 Claude-Session: https://claude.ai/code/session_012Ar4PAN3bT9pEL8rj8txNc --- CLAUDE.md | 47 +++++++++++++++++++ README.md | 44 +++++++++++++++++- docs/en/source/moller/about/index.rst | 58 ++++++++++++++++++++---- docs/en/source/moller/filespec/index.rst | 34 +++++++------- docs/en/source/moller/tutorial/basic.rst | 2 +- docs/ja/source/moller/about/index.rst | 44 +++++++++++++++++- docs/ja/source/moller/filespec/index.rst | 20 ++++---- docs/ja/source/moller/tutorial/basic.rst | 2 +- docs/ja/source/moller/tutorial/index.rst | 2 - sample/moller/simple/README.md | 2 +- 10 files changed, 210 insertions(+), 45 deletions(-) create mode 100644 CLAUDE.md diff --git a/CLAUDE.md b/CLAUDE.md new file mode 100644 index 0000000..f861bdc --- /dev/null +++ b/CLAUDE.md @@ -0,0 +1,47 @@ +# CLAUDE.md + +This file provides guidance to Claude Code (claude.ai/code) when working with code in this repository. + +## What this is + +moller (part of the ISSP HTP-Tools package) generates batch job scripts for supercomputers and clusters. It reads a YAML job description and emits a single bash script that runs a chain of tasks over many dataset directories in parallel using GNU Parallel, with per-task status logging, resume/retry support, and dependency skipping between tasks. + +## Commands + +```bash +# Install (poetry-core build; editable install works too) +python3 -m pip install . + +# Generate a job script from a YAML description (writes to stdout without -o) +moller input.yaml -o job.sh + +# Show job status from GNU Parallel joblogs (stat_.dat) in the run directory +moller_status input.yaml list.dat # optional: --csv/--html, --failed/--ok/--yet/... + +# Build docs (Sphinx, both languages; requires sphinx installed) +make -C docs/en html +make -C docs/ja html +``` + +There is no pytest suite and no linter configured. `tests/moller/` is an on-cluster integration test: `mkdataset.sh` creates dataset directories and `list.dat`, then the moller-generated `job.sh` is submitted to run `moller_test.py` (an MPI program with configurable sleep/failure rate) — it can only be validated on a machine with a scheduler and mpi4py. Sample YAML inputs in `sample/moller/` and `tests/moller/input.yaml` are the reference for input-format behavior; `reference/` subdirectories hold expected status output. + +Versioning: `src/moller/__init__.py` (`__version__`) and `pyproject.toml` must be kept in sync. Development flows through the `develop` branch and merges to `main`; docs are auto-built and deployed to gh-pages by `.github/workflows/deploy_docs.yml`. + +## Architecture + +Two entry points (declared in pyproject.toml): + +- `moller.main:main` — script generation. `ScriptGenerator` parses the YAML and assembles an ordered task list: prologue → bash function definitions → logfile check → jobs (in YAML order) → epilogue. Each entry in `jobs:` becomes either a `TaskParallel` (default) or a `TaskSerial` (`parallel: false`). A `TaskParallel` is emitted as a bash function `task_` invoked through GNU Parallel over the work items piped in from `list.dat`, logging to `stat_.dat`. +- `moller.moller_status:main` — status reporting. Re-parses the same input YAML to discover the parallel tasks and their `stat_.dat` joblogs, then renders a job × task table (o = ok, x = failed, `-` = skipped, `.` = not run) as text/csv/html with filters. + +Platform abstraction (`src/moller/platform/`): + +- `base.py` defines the `Platform` base class plus a factory registry: `register_platform(name, cls)` / `create_platform(name, info)`. Each concrete platform module calls `register_platform(...)` at import time, and `platform/__init__.py` imports them all — a new platform is not usable until it is imported there. +- Scheduler families are the mid-layer bases: `base_slurm.py` (Slurm/#SBATCH), `base_pbs.py` (PBS/#PBS), `base_default.py` (plain bash, no scheduler). Concrete platforms are thin subclasses: `ohtaka` (Slurm, ISSP), `kugui` (PBS, ISSP), `pbs`, `default` — typically overriding only `parallel_command()` and defaults. +- `function.py` holds the scheduler-independent bash helpers embedded into every generated script (`run_parallel`, `_is_ready`, retry/ulimit handling, DEBUG); scheduler-specific helpers (`_setup_taskenv`, `_setup_run_parallel`, `_find_multiplicity`) are defined in the `base_slurm`/`base_pbs`/`base_default` classes and assembled by each base's `generate_function()`. + +Key generation mechanics to preserve when editing: + +- In each parallel task's `run:` block, any line containing `srun`, `mpirun`, or `mpiexec` has that word substituted with the platform-specific parallel command (e.g. ohtaka: `srun --exclusive --mem-per-cpu=1840 -N $_nn -n $_np -c $_nc`). The `node:` spec (scalar or 1–3 element list) is normalized to `[nodes, procs, cores]` and passed as the `$_sig` signature to `run_parallel`, which computes how many work items run concurrently. +- Task chaining: consecutive parallel tasks are linked via `prev_log_file` — the generated `_is_ready` check reads the previous task's joblog and exits 255 for work items whose previous step failed, which `moller_status` reports as skipped (`-`). Serial tasks do not participate in this chain. +- Joblog format is GNU Parallel's tab-separated joblog; `moller_status.read_joblog_file` parses the `Command` field positionally (4 fields = single parallel, 7 = nested parallel) — changes to the `run_parallel` invocation signature in generated scripts must keep that parser in sync. diff --git a/README.md b/README.md index c39d4a8..d053ce8 100644 --- a/README.md +++ b/README.md @@ -12,6 +12,18 @@ It is a tool for generating batch job scripts for supercomputers and clusters, a - ISSP supercomputer systems: ohtaka, kugui - general cluster machines and workstations +moller is pre-installed and available on the following supercomputer systems: + +- [ISSP supercomputers](https://mdcl.issp.u-tokyo.ac.jp/scc/en/) (The University of Tokyo): kugui, ohtaka +- Tohoku University supercomputer: [AOBA](https://www.cc.tohoku.ac.jp/english/) +- Kyushu University supercomputer: [Genkai](https://www.cc.kyushu-u.ac.jp/scp/en/system/genkai/) + +The following system is already supported by moller, while pre-installation is in progress (as of August 14, 2026): + +- Information Technology Center, The University of Tokyo: [Miyabi](https://www.cc.u-tokyo.ac.jp/en/supercomputer/miyabi/service/) + +For instructions on using moller on these systems, please refer to the user guide of each system. + ## Requirement Python3 with ruamel.yaml and other library packages and GNU Parallel. @@ -27,8 +39,8 @@ python3 -m pip install DIRECTORY_OF_THE_REPOSITORY ## License The distribution of the program package and the source codes for moller follow -GNU General Public License version 3 -([GPL v3](https://www.gnu.org/licenses/gpl-3.0.en.html)). +GNU General Public License version 3 or later +([GPL-3.0-or-later](https://www.gnu.org/licenses/gpl-3.0.en.html)). Copyright (c) <2023-> The University of Tokyo. All rights reserved. @@ -36,6 +48,34 @@ This software was developed with the support of "Project for Advancement of Software Usability in Materials Science" of The Institute for Solid State Physics, The University of Tokyo. +The installation of moller on Miyabi and Genkai was supported by +JST Moonshot R&D Program (Grant Number JPMJMS24A3). + +## Citation + +When publishing results obtained using this software, we would appreciate it if you cite the following paper: + +> Kazuyoshi Yoshimi, Yuichi Motoyama, Tatsumi Aoyama, Mitsuaki Kawamura, and Naoki Kawashima, +> "Project for advancement of software usability in materials science", +> Science and Technology of Advanced Materials: Methods **5**, 2564055 (2025). +> [https://doi.org/10.1080/27660400.2025.2564055](https://doi.org/10.1080/27660400.2025.2564055) + +BibTeX entry: + +``` bibtex +@article{Yoshimi2025, + author = {Kazuyoshi Yoshimi and Yuichi Motoyama and Tatsumi Aoyama and Mitsuaki Kawamura and Naoki Kawashima}, + title = {Project for advancement of software usability in materials science}, + journal = {Science and Technology of Advanced Materials: Methods}, + volume = {5}, + number = {1}, + pages = {2564055}, + year = {2025}, + doi = {10.1080/27660400.2025.2564055}, + url = {https://doi.org/10.1080/27660400.2025.2564055} +} +``` + ## Official page - [HTP-tools project page](https://www.pasums.issp.u-tokyo.ac.jp/htp-tools/) diff --git a/docs/en/source/moller/about/index.rst b/docs/en/source/moller/about/index.rst index 04c4d21..0b7c279 100644 --- a/docs/en/source/moller/about/index.rst +++ b/docs/en/source/moller/about/index.rst @@ -11,12 +11,12 @@ Therefore, the development of tools and environments for the rapid generation of moller is provided as part of the HTP-Tools package, designed to support high-throughput computations. It is a tool for generating batch job scripts for supercomputers and clusters, allowing parallel execution of programs under a series of computational conditions, such as parameter parallelism. -Currently, it supports the supercomputers ohtaka (using the slurm job scheduler) and kugui (using the PBS job scheduler) provided by the Institute for Solid State Physics, University of Tokyo. +Currently, it supports the supercomputers ohtaka (using the slurm job scheduler) and kugui (using the PBS job scheduler) provided by the Institute for Solid State Physics, University of Tokyo, as well as generic PBS-based clusters and workstations without a job scheduler. License ---------------------------------------------------------------- -The distribution of the program package and the source codes for moller follow GNU General Public License version 3 (GPL v3) or later. +The distribution of the program package and the source codes for moller follow GNU General Public License version 3 or later (GPL-3.0-or-later). Contributors ---------------------------------------------------------------- @@ -31,15 +31,15 @@ This software was developed by the following contributors. - Developers - - Kazuyoshi Yoshimi (The Instutite for Solid State Physics, The University of Tokyo) + - Kazuyoshi Yoshimi (The Institute for Solid State Physics, The University of Tokyo) - - Tatsumi Aoyama (The Instutite for Solid State Physics, The University of Tokyo) + - Tatsumi Aoyama (The Institute for Solid State Physics, The University of Tokyo) - - Yuichi Motoyama (The Instutite for Solid State Physics, The University of Tokyo) + - Yuichi Motoyama (The Institute for Solid State Physics, The University of Tokyo) - - Masahiro Fukuda (The Instutite for Solid State Physics, The University of Tokyo) + - Masahiro Fukuda (The Institute for Solid State Physics, The University of Tokyo) - - Kota Ido (The Instutite for Solid State Physics, The University of Tokyo) + - Kota Ido (The Institute for Solid State Physics, The University of Tokyo) - Tetsuya Fukushima (The National Institute of Advanced Industrial Science and Technology (AIST)) @@ -47,9 +47,9 @@ This software was developed by the following contributors. - Takashi Koretsune (Tohoku University) - - Project Corrdinator + - Project Coordinator - - Taisuke Ozaki (The Instutite for Solid State Physics, The University of Tokyo) + - Taisuke Ozaki (The Institute for Solid State Physics, The University of Tokyo) Copyright @@ -67,6 +67,34 @@ Copyright This software was developed with the support of "Project for advancement of software usability in materials science" of The Institute for Solid State Physics, The University of Tokyo. +The installation of moller on Miyabi and Genkai was supported by JST Moonshot R&D Program (Grant Number JPMJMS24A3). + +Citation +---------------------------------------------------------------- + +When publishing results obtained using this software, we would appreciate it if you cite the following paper: + + Kazuyoshi Yoshimi, Yuichi Motoyama, Tatsumi Aoyama, Mitsuaki Kawamura, and Naoki Kawashima, + "Project for advancement of software usability in materials science", + Science and Technology of Advanced Materials: Methods **5**, 2564055 (2025). + `https://doi.org/10.1080/27660400.2025.2564055 `_ + +BibTeX entry: + +.. code-block:: bibtex + + @article{Yoshimi2025, + author = {Kazuyoshi Yoshimi and Yuichi Motoyama and Tatsumi Aoyama and Mitsuaki Kawamura and Naoki Kawashima}, + title = {Project for advancement of software usability in materials science}, + journal = {Science and Technology of Advanced Materials: Methods}, + volume = {5}, + number = {1}, + pages = {2564055}, + year = {2025}, + doi = {10.1080/27660400.2025.2564055}, + url = {https://doi.org/10.1080/27660400.2025.2564055} + } + Operating environment ---------------------------------------------------------------- @@ -74,3 +102,15 @@ moller was tested on the following platforms: - Ubuntu Linux + python3 +moller is pre-installed and available on the following supercomputer systems: + +- `ISSP supercomputers `_ (The University of Tokyo): kugui, ohtaka +- Tohoku University supercomputer: `AOBA `_ +- Kyushu University supercomputer: `Genkai `_ + +The following system is already supported by moller, while pre-installation is in progress (as of August 14, 2026): + +- Information Technology Center, The University of Tokyo: `Miyabi `_ + +For instructions on using moller on these systems, please refer to the user guide of each system. + diff --git a/docs/en/source/moller/filespec/index.rst b/docs/en/source/moller/filespec/index.rst index 6f2d4fb..1a6dc57 100644 --- a/docs/en/source/moller/filespec/index.rst +++ b/docs/en/source/moller/filespec/index.rst @@ -14,7 +14,7 @@ A job description file contains configurations to generate a batch job script by 3. prologue and epilogue sections: specifies initial settings and finalization within the batch job. - 4. jobs section: specifies tasks to be carried out in the betch job script. + 4. jobs section: specifies tasks to be carried out in the batch job script. General settings ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ @@ -36,7 +36,7 @@ platform ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ``system`` - specifies the target system. At present, either ``ohtaka`` or ``kugui`` is accepted. + specifies the target system. At present, ``ohtaka``, ``kugui``, ``pbs`` (generic PBS-based clusters), and ``default`` (environments without a job scheduler) are accepted. ``queue`` @@ -63,18 +63,18 @@ platform .. code-block:: yaml options: | - --mail-type=BEGIN,END,FAIL - --mail-user=user@sample.com - --requeue + --mail-type=BEGIN,END,FAIL + --mail-user=user@sample.com + --requeue - an example of PBS job script in the list format: .. code-block:: yaml options: - - -m bea - - -M user@sample.com - - -r y + - -m bea + - -M user@sample.com + - -r y prologue, epilogue ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ @@ -100,31 +100,31 @@ jobs ``description`` - provides the description of the task. It is regarded as comments. + provides the description of the task. It is regarded as comments. ``node`` - specifies the degree of parallelism in one of the following formats. - + specifies the degree of parallelism in one of the following formats. + - ``[`` number of processes, number of threads per process ``]`` - ``[`` number of nodes, number of processes, number of threads per process ``]`` - number of nodes - When the number of nodes is specified, the specified number of nodes are exclusively assigned to a job. Otherwise, if the required number of cores for a job is smaller than the number of cores in a node, more than one job may be allocated in a single node. If a job uses more than one node, the required number of nodes are exclusively assigned. + When the number of nodes is specified, the specified number of nodes are exclusively assigned to a job. Otherwise, if the required number of cores for a job is smaller than the number of cores in a node, more than one job may be allocated in a single node. If a job uses more than one node, the required number of nodes are exclusively assigned. ``parallel`` - This parameter is set to ``true`` if the tasks of different jobs are executed in parallel. It is set to ``false`` if they are executed sequentially. The default value is ``true``. + This parameter is set to ``true`` if the tasks of different jobs are executed in parallel. It is set to ``false`` if they are executed sequentially. The default value is ``true``. ``run`` - The content of the task is described in the form of shell script. The executions of MPI parallel programs or MPI/OpenMPI hybrid parallel programs are specified by + The content of the task is described in the form of shell script. The executions of MPI parallel programs or MPI/OpenMPI hybrid parallel programs are specified by .. code-block:: bash - + srun prog [arg1, ...] - - where, in addition to the keyword ``srun``, ``mpirun`` or ``mpiexec`` is accepted. In the resulting job script, they are replaced by the command (e.g. ``srun`` or ``mpirun``) and the degree of parallelism specified by ``node`` parameter. + + where, in addition to the keyword ``srun``, ``mpirun`` or ``mpiexec`` is accepted. In the resulting job script, they are replaced by the command (e.g. ``srun`` or ``mpirun``) and the degree of parallelism specified by ``node`` parameter. List file ---------------------------------------------------------------- diff --git a/docs/en/source/moller/tutorial/basic.rst b/docs/en/source/moller/tutorial/basic.rst index c2e0f70..fb32b3e 100644 --- a/docs/en/source/moller/tutorial/basic.rst +++ b/docs/en/source/moller/tutorial/basic.rst @@ -93,7 +93,7 @@ Run batch job ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ The batch job is to be submitted to the job scheduler with the batch job script. -In this example, the job script and the input parameter files are copied into the ``output`` directory, and the current directory is changed to ``output` as follows: +In this example, the job script and the input parameter files are copied into the ``output`` directory, and the current directory is changed to ``output`` as follows: .. code-block:: bash diff --git a/docs/ja/source/moller/about/index.rst b/docs/ja/source/moller/about/index.rst index 9477605..85a3493 100644 --- a/docs/ja/source/moller/about/index.rst +++ b/docs/ja/source/moller/about/index.rst @@ -13,12 +13,12 @@ mollerとは? mollerは、ハイスループット計算を支援するためのパッケージHTP-Toolsの一つとして提供しています。 mollerではスーパーコンピュータやクラスタ向けにバッチジョブスクリプトを生成するツールであり、 多重実行の機能を利用し、パラメータ並列など一連の計算条件について並列にプログラムを実行することができます。 -現状では、東京大学 物性研究所の提供するスーパーコンピュータ ohtaka (slurmジョブスケジューラ) と kugui (PBSジョブスケジューラ)がサポートされています。 +現状では、東京大学 物性研究所の提供するスーパーコンピュータ ohtaka (slurmジョブスケジューラ) と kugui (PBSジョブスケジューラ) に加え、汎用のPBS系クラスタや、ジョブスケジューラを使用しないワークステーション等がサポートされています。 ライセンス ---------------------------------------------------------------- -本ソフトウェアのプログラムパッケージおよびソースコード一式はGNU General Public License version 3 (GPL v3) に準じて配布されています。 +本ソフトウェアのプログラムパッケージおよびソースコード一式はGNU General Public License version 3 またはそれ以降のバージョン (GPL-3.0-or-later) に準じて配布されています。 開発貢献者 ---------------------------------------------------------------- @@ -69,6 +69,34 @@ mollerではスーパーコンピュータやクラスタ向けにバッチジ 本ソフトウェアは2023年度 東京大学物性研究所 ソフトウェア高度化プロジェクトの支援を受け開発されており、その著作権は東京大学が所持しています。 +また、Miyabi および玄界へのインストール作業は、JST ムーンショット型研究開発事業 (グラント番号 JPMJMS24A3) の支援を受けたものです。 + +引用について +---------------------------------------------------------------- + +本ソフトウェアを利用した成果を発表する際には、以下の文献を引用していただけると幸いです。 + + Kazuyoshi Yoshimi, Yuichi Motoyama, Tatsumi Aoyama, Mitsuaki Kawamura, and Naoki Kawashima, + "Project for advancement of software usability in materials science", + Science and Technology of Advanced Materials: Methods **5**, 2564055 (2025). + `https://doi.org/10.1080/27660400.2025.2564055 `_ + +BibTeX形式: + +.. code-block:: bibtex + + @article{Yoshimi2025, + author = {Kazuyoshi Yoshimi and Yuichi Motoyama and Tatsumi Aoyama and Mitsuaki Kawamura and Naoki Kawashima}, + title = {Project for advancement of software usability in materials science}, + journal = {Science and Technology of Advanced Materials: Methods}, + volume = {5}, + number = {1}, + pages = {2564055}, + year = {2025}, + doi = {10.1080/27660400.2025.2564055}, + url = {https://doi.org/10.1080/27660400.2025.2564055} + } + 動作環境 ---------------------------------------------------------------- @@ -76,3 +104,15 @@ mollerではスーパーコンピュータやクラスタ向けにバッチジ - Ubuntu Linux + python3 +また、以下のスーパーコンピュータでは moller がプリインストールされており、そのまま利用できます。 + +- `物性研スパコン `_ (東京大学 物性研究所): kugui, ohtaka +- 東北大スパコン (東北大学): `AOBA `_ +- 九州大スパコン (九州大学): `玄界 `_ + +以下のスーパーコンピュータは対応済みですが、プリインストールは対応中です (2026/8/14現在)。 + +- 東大情報基盤センター (東京大学): `Miyabi `_ + +これらのシステム上での具体的な利用方法については、各システムの利用手引き等をご確認ください。 + diff --git a/docs/ja/source/moller/filespec/index.rst b/docs/ja/source/moller/filespec/index.rst index 0043c6d..beaa445 100644 --- a/docs/ja/source/moller/filespec/index.rst +++ b/docs/ja/source/moller/filespec/index.rst @@ -35,7 +35,7 @@ platform ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ``system`` - 対象となるシステムを指定します。現状では ohtaka と kugui が指定できます。 + 対象となるシステムを指定します。現状では ``ohtaka``, ``kugui``, ``pbs`` (汎用のPBS系クラスタ), ``default`` (ジョブスケジューラを使用しない環境) が指定できます。 ``queue`` @@ -62,18 +62,18 @@ platform .. code-block:: yaml options: | - --mail-type=BEGIN,END,FAIL - --mail-user=user@sample.com - --requeue + --mail-type=BEGIN,END,FAIL + --mail-user=user@sample.com + --requeue - PBSの場合 (リストで指定する例) .. code-block:: yaml options: - - -m bea - - -M user@sample.com - - -r y + - -m bea + - -M user@sample.com + - -r y prologue, epilogue @@ -103,7 +103,7 @@ jobs ``node`` 並列度を指定します。指定方法は以下のいずれかです。 - + - [ プロセス数, プロセスあたりのスレッド数 ] - [ ノード数, プロセス数, プロセスあたりのスレッド数 ] - ノード数 @@ -119,9 +119,9 @@ jobs タスクの処理内容をシェルスクリプトの記法で記述します。MPIプログラムまたは MPI/OpenMP ハイブリッドプログラムを実行する箇所は .. code-block:: bash - + srun prog [arg1, ...] - + と記述します。 ``srun`` の他に ``mpirun``, ``mpiexec`` のキーワードが有効です。このキーワードは、実際のバッチジョブスクリプト中では、並列実行のためのコマンド (``srun`` や ``mpirun``) と ``node`` パラメータで指定した並列度の設定に置き換えて記述されます。 リストファイル diff --git a/docs/ja/source/moller/tutorial/basic.rst b/docs/ja/source/moller/tutorial/basic.rst index 093dc68..054ee3d 100644 --- a/docs/ja/source/moller/tutorial/basic.rst +++ b/docs/ja/source/moller/tutorial/basic.rst @@ -40,7 +40,7 @@ jobsセクションでは、タスクの処理内容を記述します。ジョ ここでは ``parallel = false`` に設定しています。この場合、ジョブ単位での並列は行われず、``run`` に記述した内容が逐次的に実行されます。 次に、"hello world."を出力するタスクを hello world というタスク名で定義しています。 -ここでは ``parallel`` が設定されていないので、 ``paralle = true`` として扱われます。この場合、ジョブ単位での並列が行われます。 +ここでは ``parallel`` が設定されていないので、 ``parallel = true`` として扱われます。この場合、ジョブ単位での並列が行われます。 同様に、次に "hello world again." を出力するタスクを hello_again というタスク名で定義しています。 最後に、epilogueセクションでは、バッチジョブの後処理を記述します。タスクを実行した後に実行する共通のコマンドラインを記述します。 diff --git a/docs/ja/source/moller/tutorial/index.rst b/docs/ja/source/moller/tutorial/index.rst index 4fbc667..7e2ca52 100644 --- a/docs/ja/source/moller/tutorial/index.rst +++ b/docs/ja/source/moller/tutorial/index.rst @@ -1,5 +1,3 @@ -.. _sec-tutorial: - チュートリアル ================================================================ diff --git a/sample/moller/simple/README.md b/sample/moller/simple/README.md index 8080362..cc1b247 100644 --- a/sample/moller/simple/README.md +++ b/sample/moller/simple/README.md @@ -2,7 +2,7 @@ ## What's this sample? -This is a trivial example to perform jobs in paralle using a job script generated with `moller`. +This is a trivial example to perform jobs in parallel using a job script generated with `moller`. Each job executes two tasks that execute a simple echo program and writes the output to a file. The jobs are basically identical, with an option to let parameters vary over datasets. From 75d54e490daafcd6458050926ba0a7db867db794 Mon Sep 17 00:00:00 2001 From: Kazuyoshi Yoshimi Date: Fri, 14 Aug 2026 17:38:38 +0900 Subject: [PATCH 2/5] Add badges to README Release, license (GPL-3.0-or-later), docs-deploy workflow status, Python version, and paper DOI. Co-Authored-By: Claude Fable 5 Claude-Session: https://claude.ai/code/session_012Ar4PAN3bT9pEL8rj8txNc --- README.md | 6 ++++++ 1 file changed, 6 insertions(+) diff --git a/README.md b/README.md index d053ce8..4d35559 100644 --- a/README.md +++ b/README.md @@ -1,5 +1,11 @@ # moller +[![Release](https://img.shields.io/github/v/release/issp-center-dev/Moller)](https://github.com/issp-center-dev/Moller/releases) +[![License: GPL-3.0-or-later](https://img.shields.io/badge/License-GPL--3.0--or--later-blue.svg)](https://www.gnu.org/licenses/gpl-3.0.en.html) +[![Docs](https://github.com/issp-center-dev/Moller/actions/workflows/deploy_docs.yml/badge.svg)](https://github.com/issp-center-dev/Moller/actions/workflows/deploy_docs.yml) +[![Python](https://img.shields.io/badge/Python-3.7%2B-blue.svg)](https://www.python.org/) +[![DOI](https://img.shields.io/badge/DOI-10.1080%2F27660400.2025.2564055-blue)](https://doi.org/10.1080/27660400.2025.2564055) + In recent years, the use of machine learning for predicting material properties and designing substances (known as materials informatics) has gained considerable attention. The accuracy of machine learning depends heavily on the preparation of appropriate training data. Therefore, the development of tools and environments for the rapid generation of training data is expected to contribute significantly to the advancement of research in materials informatics. From 221af38572ac65047446afd61fe85489cfed2368 Mon Sep 17 00:00:00 2001 From: Kazuyoshi Yoshimi Date: Fri, 14 Aug 2026 17:39:40 +0900 Subject: [PATCH 3/5] Add moller logo to README Co-Authored-By: Claude Fable 5 Claude-Session: https://claude.ai/code/session_012Ar4PAN3bT9pEL8rj8txNc --- README.md | 4 ++++ docs/images/moller_logo.png | Bin 0 -> 12049 bytes 2 files changed, 4 insertions(+) create mode 100644 docs/images/moller_logo.png diff --git a/README.md b/README.md index 4d35559..c61948a 100644 --- a/README.md +++ b/README.md @@ -1,3 +1,7 @@ +
+moller logo +
+ # moller [![Release](https://img.shields.io/github/v/release/issp-center-dev/Moller)](https://github.com/issp-center-dev/Moller/releases) diff --git a/docs/images/moller_logo.png b/docs/images/moller_logo.png new file mode 100644 index 0000000000000000000000000000000000000000..42f49bdea5138a44a903693be6b73b7aaaa6ae45 GIT binary patch literal 12049 zcma)i1yq#J*DxU=AqcE=gTRu~A{_!tEz8oZ(!DGwB_T+clG5EJ-6*Rp z@BY5uIsfy1@t*VDGtYhQ+_|;SJkQLXnSBG+RwX5(Bf`SMB2`yYhG1b~12GpLAufia z)cy#Au^u=mXenS})x9PDYlVlYv)HIXw6L&(o?>A|#9(2eFsz85SXjP7SXc*^SXff; zv9PE;a$9w!F@{dTnoyPd`+GYFds}-u3??Na005>{ z-#}kfL>NN|3km&4_}?H|*y#VY{2xAsc>L%Q22+ufYiepdA|}QJpbk>UxTdC}!te$7 z`7jtjL7}aqjUj9?j#y|h1SL5+SQm_mfsKWQgN;>PT}}9zkeRs|rU?@XhA%Dsf{vP6 zK|!90l?KDX;OCMOQqLv-tunIEkP#D`TUz|n#6}}2Ac%$-K&M`k*{2zuYTJ`gMa^khIqF?`*MB`S1t8_t@v_SmQ|AB>Jpta z+BoC4e7$vhqGjM{jR_LlT0>PCD*=yD4O4mOp=Rujh4rZKp9>q#`-mRHB=Aw!QX$wU zpv99E83Df7$HL;ZQ&(1i1}q-u-P=&AX0BIp>Ju0{X?RtA6ch`v=6zEttWGuT;Z|(x zrY1fAz2CC8mZP_pRp?8et;e@VIV8c(Yf}EQCr4Xd1M@x+*qPy1VTeyBhAT4`9P||S zs5{vE%;~%RUr6)zUk3oiHyr6|Z2uo9yr#Hxa-T$7QaK4VROI5vouy-`qApcooM~s= z8ylnFvR-VLWB{RHuu7kk1Uf5gdBh}``>7e5$ZkAldpV|Jm-1A4vp8tybkVK{f0hzA z85_h8PzCM)QzfeBY8T1x&Fg^DuQ@C0VV*UeNOEt{PoU zJNl)b_$-3m048XGBjB>@-bL2z#8W2K$Gqs^_))wpqrL{=gmdgM6Z*yhj1B+b#faE& zdIgoYtA4EHr*c4kHVhKv1tKT_B~rU+i)@mJg9IwL?yaeO+3a#W_fO6htxEXO+1p(`N%i79_i;Znu?8jdFJ2&Q6MEY2uBIt;T~LY-BDIB^+H|1+`q|$ad=Z zU}fMU=>&)OKq1%M?)O}irO@k-ij{88DJC@ad>U2TzA=+ZEK!AhN@WsjVM5(LK!R7` zM(~vANBiJ2+CQwg53rDQK5stwEGhRo*kg}n=H}UtCKz2CLxu;Q%84`Hnd-1|~6ukJ^H!{cO zBeGAi%zp{?VQ@xMhIFpSEoLDo%duuM_;lirStWMc>7Jonjh)T_W9%^=t$ggX;%t3& z-K!M|4>jHWQSq`}&oxQ|vOnctXGz4`9uvnE%w4IyT-o3@{Z*uh3J=?>Q4Qx0Y!ikm zl&WEmkZpk^fs)5h!nBoMjNL9PU;_>sD|zTUI1w&~y@agF5F~P#f#+lxzZe*!*(S%2 zWIu~NB?dS)@rdcr5VAr9p-$|b+vf@pCUSk<`xmLQotYJBBfHhe_L>uc{5TZ5RH%N zp}yyQDRL1v+O zaTF1tg1m}p>68>78CUM*M?>t5CUvM{t9GfU#4{Ahb&5~+xXZXm>#tVn9Z-s8#HD@f zt2NTz?}IWSQgbX2Xv?tL!*Kdh{Fq+_-sIRFXHgEus#4yt$+c92r%zLNa${XYfjO{0 z5tij=@nf`AkKPsbXjVM1NQ4bYH|!HryjN^qy+(@~=N7#kGqw)kpa5i3`GSnjK$E6T zq$u5eio7U|X_vc-i{g+8ub6L}a=HG|Zs*|r3=t-X5Q}b>^2u}qY*Nom5V-96NBz6~ z6g9_smY6zDLi z6TpIwpi+m^Y=m;?#`B;Plr!!j!gt>x5uuqOjlEWg*DO4#z!tvpIX^I-Nr6yKsw8EG7z%2Y zE_LjM`Toa< z_>Z}~lhU7uj*l!#*jdIYgir8MM%6d!>e5JMv-9TIgJ@@C9 z$Y<(%-d{N4+#>Lr*5bpUQvWrwP7r!>AkUrTX5lV#QR!&_ zFT&wfs*)#Xn_)LmOBYQwaKr`pR+YeA{7U~4fcD|}lM+A=Ts%h7gD5s-x)FSU9FW`{ zQHHlx^!iGqI=b7wiy_w9b`rVTs>stmc|fo4YxMgrQun#|Pt{lwrju{GZ))Eu({&Il z&!8q#(oP(nf4rjMEt7*PI*z<9Ku{G^7LexOlqkNeEH|DFAJu<&aU7W_XOQ=|!X{s8 zR>8PYvMLPxa0(Q86`feBvEx6GB`Uju@Z!Kz)meaLWY8991K+UJE1zhO5qvv@CEM!hi=R9*ERPY%8L-Lh?@s%0 zNa%expM7+eR6&?8`n-aN2bj*pznfS>yEkCTm}GEJ;pFZ!?@l^`&kml6k33CNB%O@v#4SP4Vw>n(>`wI+y0lsuj+!GO^Ka)nrF z=bUj`*z^tQd2o7>)N2S~(JY)m`}M~YB^3@w1+eFtFM9`ek5_`r;)|vNXtXYmhDDoT z#iMlWzxf=9ALwM~|x@aEqO#2TUe` zjHPy1IbDS78ugU>)wGyGDph|Pal%Z$TiayEzDJx@tLIhT$T2nMv?d^TatKUCrjJlQ zL=SIki#{_0a{fFmP}S93SxGok7)}D=;SEkAq2-2VoH&50BDBo#!;mxnvNZjFJ~`rP z+;*o?aL@&?>?(awMn6yCEf+2eaI0@!s;uHN_B`b5r3GY2O7IWlay1JNI;piYw&@Q7FV;4Pg*5~=Yrod-S~doZcrzD+gHfq-fR@Z7&$ z8+vY1J}nc;1-vzUBmNC+mLB)utl%x?`|)pe|MHdj&^sff$Vxu;XG~3=X<|hOknQCl z`1Tq(lW)(QG1Eo|uF3t8ZyEhDTOL9vw!0sK`|?S-!*|&|*_I#4)v(XTcf&b*O!>i6 zDW-k$Vp|S&u#Oku=uy#gjd&-LslPJY>k(xwqr`MEbrKXy}~~x9FQyqlvbm zEt1)^sWd)1cpxfj5Faj8RaOO0jzE!w^jP8H40Pd}iopDINuZz)cLq0qe*N0w{7MvM ztu*mYzRdr+fjKbsoy0<7q?7QL6?}J5+Rs(CFui}h`s}(h?AL|`$(YmF%9ZVaBHVNN z*WlEjvkK&0nd7_3+xd2M&ToXYEUwWDZRu;%0wMF6B%A8Hh^UxzpaAfvQfC9%xQO0i z16IfO8tG$V0L2y2E-4d%f$9e4G1ia<-Y{SEd~88jJ{|~jO71>PnF%m%8hpwGj0BLx zg$txZl<9M2_e>wnZ_Pk7q1UpcT;R!6)&e=ltJv9vdJ0Ow=Wa;X@m5d=OvlDDT9xx1 zt+=_F)1VUG;QJ%N8_MnKhU(k5Z^vtaa|y%5=)7A`UF`NK6TDwxCQ8+J<9(pos~}SDUq)XO@C?ELt$c@g z>Kw|QnfmOUf4PLR*y0AIvQvxWcO*cuj5b?;7bC>`ZHsTLUj+~OoeXgtrT3UYtmQoG z>a4OIa$VHpG~l|&X755%m4Bhtf0)PmAc&^b*Qy7t)F0f&0FNSNh#6}6=I`yaMF8Dp z&VZ*2*z*q$h27#?%mnvl|C7FMuSB#Di}R-Mu1aNUf7+sOFMs-ZpHs`>kVE}#lCfz5 zQGw97biQTqsP+2-%!D$Lx3_r!_>?uEaUDk)PNhrhhr4+snOWrJLVkbSc6tBzX@E4V z_Gzi8W%0Xj8K!<{a|DGS_*ucdg+{EREah<+@ZfimOOwH;3^fDqI-_&3)KQSUN^S_x zslbtznti{ebkng+|JrQK67!{5E%*mZvcPlR(%3bYpjdLR1`r$Y zeeAfJ?lS|!AQ>`XT@HCmQh!zO@qRi92cr}J^DHz$p-}+qU&d(z-UetLQ{Opj@H<4O&`a-rp-GC&% zq4;iLoh`t={iioA=Ym}(v#1PW8QI@!?Qmvq#F=c_tnD8$Af4y_t(uHV6k4Zh2{`uf zX=h)frPQm@)&=QAIt-w--RqS@b}2Myf)A>Un3;HA0JZgt5FDMaOH8C$?M28H2}3u6 zIGFhYwmU;zVk-`A1`m+GM|yf3sPKw5tG~A2Am?PmexH447UH9V*EYB?yoLv=C?@`$ zZ2w(S0fmVSb{VRJ-=M8)Nhy@zBlIKq-6FVhlQ+FPJB--3-6L|j**AC3r~p2YmDS9Y zKu~1?%*fy@n*fktZDb>h+jon36_l^o6RLkjq6|J6R3$r5Rg$*KypNEX=l_law3?q^ zy$rFi*X|Ky&_}WvlRbmVLVBWppioh&9n?wpeL9O%k&;rsUDKG^iy13{3bN4-qgCgm zM+z!RDS^!bVR8ua@w6WPQ${@y2+{QeJ^JEPbMDtGEB8*)W`gebXF9S5ZUL>kFCHj6 zjwl&`%7sdeXVbjvLBCT2-kOs}4Y@gH;TfB573Wg*xSO!1nB;!_+%WCI4m1XPt43HZ z;osi3awery(FEHY)?5v|D3G}oQ>X(6UOACN32E<9>uqa)X_K;_=`iyKZ~R_W+Eeey z+9?}W`q0oT!-A^%NO-v$OAD$Dj2$nwh*KFna_}>@i}|cagKWy0u|$C5Aq`x+f{2Cl zL600)RE&=I-Z-BcPN<~WN2yTC?Ko$d!tRSW(_34{Ps8~OG1Z$TQYVZ{WH@loo>Ev3 zjE8H+RnO_uZvBVy8T22~HFp|Se8n<#U9%W~)w!-#lfauGUo6C#X9h_39Iex04%`t* z(fdqh(DPw^O;BxnlB5h~9_!|EL%%N~m{$xFutllFN>|^!P5hWP{y`R+zZzdEXV4Wq zT<+Vs-cJkKH=g-zXVg?XQ|^;~OOmWFhk#{TM*n$fHz(z@+l~lXnM2v&X>Y%~R`HV% zY}MQ8`|$W|Rj9j+cuHgS(R-+WYbfokWJHz z`SBxz+M9TgWup#M`!1Op{`n7`UMwEqu_D`4fA!qxd(*Yu=rM5<_Vy3MPA0RiiR^*) zOZYQkx~!Nely(g00>S&Ew8p>0mhd%pUVS2O57f{Je^-O7Pq|K`()hc37{_nWkATg>RmnI7=lKmIRMI>xMd z^pTQ2oA>ZEjU(fqCn0d5Y+9m@9+fgg>|$-EOwY^LYlAUvy-gJa#Ls2SOywiib8F|edtDlf9QQJ5#P-m!in%6Z~N|5bRpm)Vei!TC1AB(XPK zmvO)Ek!A}qm7{HAJfZN{mJ)F{`9se%a2iC9tHo(h+{8W<908hggP(NhztQ0<-D$@}d4&p|!#Ddf>M^$%Y@ z&Uwov^AL5gr$N#(7V+k6P--Gnb-5n=7?1?;X>(v|U!lmsfz6M7tit?Yvz3hHD2IeL zmAlIG5BA2334((awY~nhZOOQE!=@v7k;it%8@kUdgCDy8a}L$hcp_53)t7t;TU4+O@PYgN7N|D;Q?xmYG_k z)+|~)HhN<3Z!1`~=D3!+5l5U9?o8_jk&c|3g*fMTCMNRz>I>(+MY$C)2#O;>OZ~&KB{byNrLAyz$p(Ne4s0Q$ z*T(`bp?sJYqj%!PW?qVo&xYavLoXP^X&+zN)m)p%qc;!Mjeb0*cj^E$)x;IN3=WgR z0cg;@2^Ev?dcVM8flK$#zO2m`L7%jrkp#tmPPk!!+Vi)PRL zTYT91$w8Lzh1!h&x9GGumW-!HP(RIzqn=r$VW~;KPdV>Nf}wEiqUx+N=UZ1uI;^r? zGVkwA&D$EdJhkuZy}?z7G|eedt;@F1!YI{bnj@7j1K}! z)n0=<&qx)XbcWt7rM8`17Htj(SPW6&n*vuFV35`yuHrePPbE1==uRbUkNApGr(Nm2 zT2r;8p9#_#NuQ)Mt8L8}lE6oY-V#CO!x!ouJm0)aaEzY@*|BJAbWSL^cq+g3pi^bSXk(Pw7^FA6#?_YdGbO<$c0I<@x~%ASK9baJe(=Axb6y*s)EN3wh% z0LZ#dRunj64ou>Qfr>c1{*29?*Tof`WR77cRYZ2G^^xpum`u`~n@u4$O_x!S`eGC_ zal^$eK3Y=69N-+@Y-nWnmld4nm|W5w&lIIl$^+fH{fl(>UD+SA zh3Jzqk8ts|x-ACKkSo|^wY%dGN(fwP{AE<|0Dy^C%Pm`I10THKP%f!}+b&i6GPP7> zZv{n4eQd)7eN;6YtW$ud3%-o-lh`DOCWwB5sL!!tp8E;9P0o%8#M2eGj0saqZwMsg zc+t>35t*vDie)o9M;W)U?sTG)3Fp5U<<@q|^U?mUyW!LLVE}U`;`n)GCXpE+E2G2H z$h;6w^dwIbakd`_8lA#ceNRh08vTRUw4!h3nIw7~iIBbifl1vK9=tsR=5Ifl;uQo! z!u@}q88sPk>XyA8fsMoo+JRb`Adi63&Jd^kfgai`0@r8=WZ-*+w%N^FRY87SL?3ei_0TMkFx9lA%09J)(Q|i z62AHUsm-rRZucoigFYt-yy3%nasBwvV@Np(fWBh>N4cCJJx3mGczSkV%bd5d7X4T# zN?fpk0&Ex3ZBq2L#762+A)Neayb`!h)|4AKj5ZYPitlwN*a>x7R?Mj$_YSl+m&w@vhDX6?v34_J~7qS1cA@r7QQxU zBAs0WJ{i6Z;JhbdO5rwPYi)8LsUB71jdU*=4zTZwokU_+LCB!LxQzQ4d6 zm&~Lxz{eMHT+jH*rcOh6m?9sSYwk~2f66u7GGgX4CD$u=^ZyxtPcW=o=kM8n_2^KA zAu3U(FeMQdm&ZaaF0d0~RZ^L+@CF3jmiMt!)U=cf?{ z9ixlaW`jM)aeqb*cLj+9!52O!&G;8ZJ%f(&#G~@`uL=?vt^6&fdn+J^&ck#n2jaZ7 z@7b>}1}Q0(=FA)14Wfo_RE+$xRTbhdIA{RjF7z{qiZ5>n;H!BRup#Fk^PU&7iJDHroYldmr|sthe7iL|afv$T8GK}yJAHkF)sYId4OljZeM{OZ%CT*( zw{fq!hN=uV-%xCT^a))q9*4njY&g}kz4Wt+>s{0C%sPMnoM3*>r0S|_jkp3sn@msF z(&)vTw%BXg*nBJpBcXQ3L48;C`<0uGTl()SQR!5GVY0>HpOi53XDIoyfSeq8%<+aI z_?*5M*9i_z7h#%0u|dj@uK7nabXl9j_16$FCf|{g2G4psE#nH)Qw(caSgfll=x$(} zCd``I=9nSz+HJ{uGeNXzRSpO~gor+X`d#|n$1QWyKge);9)izNf>x_lv~FzQ!;C9v z7!SQAfubE$qvZCpfJE0A^V^4Vtop1PL=2VX$}qfa?BKz)!}zE__qE_xVOytYbc?=Lil^H@O?=7cj}=neO%Vk z7QJL~CSt&{w*b%Sdi7=zBtk+KcJs9PNFEvdlacKC{l3H)S-(7|592{+ZFE+vlAyD4 zN-U9!Zn}QY{M#S5wo>@OqG70cx|wWMR773y%Z)xt2W%=_IOK})Ry?8$p~vCDW%tiW zEoz%TpjOivi2mz;W1mS5txN=K9x3(XjD3v-o+Wf_9>OINeTpar+yNo+z!o}6_>^yd zfmw&BPGz78zb*f8{Xk+iA++|e)Zn5>s;XyR$|pZ>j*b8ji5MVI!E;`=c82RU{kSZ0 z^4sIN+YTnxmSjb&`{laKBn>?p_k#9hc84${z}-Z052Q2Y*Y3bTabR!(I;t};LiPpO zA*^4^4NXh_*?E{&)&ZN590=A2(|&Ca5934c(^(IF=67d`XuI6wUvMMj0XEyLfc2Yd zACm}46k@ZjR7MPiJqzeh^R6*@=B1Q3PrGElQx!AeAk+RzsomGFBe!g(gGCo%nOpPv zDtgG#op;}1Ii6-qsrn}-Deg~y(*B(Nv;ixl(trvWQ#Cgx^Y`H1j*9Bd(8rQ*2D%oA zG;_i2M>_*kf2tIx4$Hg(KQr|vT|@7M=&wpB24F!xwpN~~k)@9j-=ZQw8)f&#{w2Da zP{POTvA--tOMeFOEp{+nn(4(6#R)h&kw9ThHbsh{-O+eT%0_>M@#T4hdG$B{Y!o=s zQH!37;0;mH*j0&ptR_k$btrE(5h!H|oxDiRq6YMoh>g})yBMoHM0!9IO6BfO&fU?~ zB@gtekR8^C50MY_qkszVLJ*h}K>__w74^IrGs%32c9^@dX950tY%;b+h6PvOv%rTA z*f#Jq)tkGBo1PVL<%Jt?p6Oe|JbgkWO8TU|LQzY_KjVs!NGF=OYGv5E=HBda;|~0V|H&)! zg~j&=ekO6%V-yV*MDE!%hirKCpIY|H5o2pY1KRMXPXr?8HamtCOihU& zdj(Cd>v}Z&oBd8?D7RNnF0SKFU%Tv}ZvKItlv*K9t4`lQ8A`vogMp!)7k|s8z4pd- z;P9P~jaq*kuIQJry&M8Vk!_^|{f*nQJ9&j|&c~8-F2PJwMz5Auf}dvm8E%&5GEC#Y z5tInF0yVl#oy2ymuQEyN2hLHuEo`qg<>SN}o8cYqGd~@Wo$d@yjXo7^XBa5R3$4hh#Xby7TVOy%_i z`g-_}N~{lh$Upe5D5xn8ceUOD-_6w<(u|W!arY$LLgKi>Ap9rp%&Ij5lsBLgksEky zZd=(~?GSg}Dw0tg?b!ChHqms=etmRv>2Jy5(T9<-$f6I@lF(%WGDDjf^47y_F+&y3 zXPE`x!RHlWO^m{xwoNK4eqerdF4&X#FB;N`kbc@0pp%$5o)he^v`gB5dtyqYNNDG` zRk*lMFw+t5>;GW!&D9gPfV{dT@W+sR0VS1LPA12MoX(=bm+&|7PJ$Bp43o3WCoHQJWB^CtWrvc}N88gz?|e|bvehmr>4CDQYIfmhl_ zvSf#cc`>lmHYWeIna<{iH<)L6VL3-%+N5sDTQjw2bIj|fQZ(x&m;6qu^|Q?3HVNxA z97HZ>GG)>RYr7UBZFmIYi4BS^x^OWi8W~uN5VsNgi-Y*x^V?jn?rubei)xViFB5db zL?!pR5<}HfiwJ`+8m%-4Ker7u_<8e}Y9fJcshi?W8-0wMYXH4uJ}$ET82+*GI%Q@Q z153^BYxy5A&>D7!N@;V`h?G1>2J5xRVJ6=m>u0IyzG>8O5!_Y6JgeLIeEu!8u9(fO zK0lMsc>>#c73O`n>Td~=64o z;Om`_HM||A%iAEe-#k=+)oq)!O=Sxj_s8%KfU{Uv)@IY*3NzBw6MQT|xE1HsJIB~V z=K+dLozC1)wlIKhEA1!}9wvOp{jjX(4PHr%cDjk>%YuKOkHjMbGA(^=Ml4g5D|JBY zb)Q$YrKNqQr}~@)ucI0;ezF|;>|Lx8E+XNem1fQ2Btbiq0AO)0y_7?wDRCqHj7Gvs zgr1Agd#k_DE39Tg5Xc4V$`bGgU<1f#yfs4o8fd#fD;JYK;MmcevE*j}f*CaKfb`ZA z6uK0VE0*N2yqm3=3hEsD=xjI!+R^X}u8l_YJXv^z9F;^g&D<4l1};1J+my7jk_BH> z2!FlCM|!V}9wK!#)W+2-PQs$2)2bj85<*e z(I!!3;MRNMcHoyBl>9A;u0E|3>Ncn-1~6aR92YqCwab>12<>%vDJjXFJ$eRA3a;Xh z+ALXg{(YH>K0Q)<%KXJ8;OX^J5&MsJg!W(QUpUf2Cm}=&^yuKFd=#?rPd8cP*MuE* zKXN4J&&^Zj8Dwb2VbRIprg^e7V~)n(u=b2jToJ&p=gl&y$rF)wfs@%5yS!(?qQKJ@jY^wgv|kiJ&}F zy{aRo3VZ5c@YVhVIg5Lejy2dVKJzXn3R~fl-M&~At5Ot kA-+x-xBpGS)!o+7KJb55Fx!ls#3*2?t7t2KQnZZvFKa;6O8@`> literal 0 HcmV?d00001 From b965fd18d4f492ad723b1ae6bd0c0fff54668c05 Mon Sep 17 00:00:00 2001 From: Kazuyoshi Yoshimi Date: Fri, 14 Aug 2026 17:40:49 +0900 Subject: [PATCH 4/5] Reorganize Supported platforms section in README Separate script-generation targets from the pre-installed systems, which are now shown in a table with site and status columns. Co-Authored-By: Claude Fable 5 Claude-Session: https://claude.ai/code/session_012Ar4PAN3bT9pEL8rj8txNc --- README.md | 23 +++++++++++++---------- 1 file changed, 13 insertions(+), 10 deletions(-) diff --git a/README.md b/README.md index c61948a..08e535f 100644 --- a/README.md +++ b/README.md @@ -19,20 +19,23 @@ It is a tool for generating batch job scripts for supercomputers and clusters, a ## Supported platforms -- ISSP supercomputer systems: ohtaka, kugui -- general cluster machines and workstations +moller generates batch job scripts for the following types of platforms: -moller is pre-installed and available on the following supercomputer systems: +- ISSP supercomputer systems: ohtaka (slurm), kugui (PBS) +- generic PBS-based clusters +- general cluster machines and workstations without a job scheduler -- [ISSP supercomputers](https://mdcl.issp.u-tokyo.ac.jp/scc/en/) (The University of Tokyo): kugui, ohtaka -- Tohoku University supercomputer: [AOBA](https://www.cc.tohoku.ac.jp/english/) -- Kyushu University supercomputer: [Genkai](https://www.cc.kyushu-u.ac.jp/scp/en/system/genkai/) +### Pre-installed systems -The following system is already supported by moller, while pre-installation is in progress (as of August 14, 2026): +moller is available on the following supercomputer systems. +For instructions on using moller on each system, please refer to its user guide. -- Information Technology Center, The University of Tokyo: [Miyabi](https://www.cc.u-tokyo.ac.jp/en/supercomputer/miyabi/service/) - -For instructions on using moller on these systems, please refer to the user guide of each system. +| System | Operated by | Status | +| --- | --- | --- | +| ohtaka, kugui | [Supercomputer Center, ISSP](https://mdcl.issp.u-tokyo.ac.jp/scc/en/), The University of Tokyo | pre-installed | +| [AOBA](https://www.cc.tohoku.ac.jp/english/) | Cyberscience Center, Tohoku University | pre-installed | +| [Genkai](https://www.cc.kyushu-u.ac.jp/scp/en/system/genkai/) | Research Institute for Information Technology, Kyushu University | pre-installed | +| [Miyabi](https://www.cc.u-tokyo.ac.jp/en/supercomputer/miyabi/service/) | Information Technology Center, The University of Tokyo | supported; pre-installation in progress (as of Aug 14, 2026) | ## Requirement From a0932e4bc0d575567b30c9534d2bc85c8f6ba3a6 Mon Sep 17 00:00:00 2001 From: Kazuyoshi Yoshimi Date: Fri, 14 Aug 2026 17:43:53 +0900 Subject: [PATCH 5/5] Show pre-installed systems as a table in the manuals Align the ja/en about pages with the README: system, operating site, and installation status in one list-table. Co-Authored-By: Claude Fable 5 Claude-Session: https://claude.ai/code/session_012Ar4PAN3bT9pEL8rj8txNc --- docs/en/source/moller/about/index.rst | 33 ++++++++++++++++++--------- docs/ja/source/moller/about/index.rst | 33 ++++++++++++++++++--------- 2 files changed, 44 insertions(+), 22 deletions(-) diff --git a/docs/en/source/moller/about/index.rst b/docs/en/source/moller/about/index.rst index 0b7c279..8eb396d 100644 --- a/docs/en/source/moller/about/index.rst +++ b/docs/en/source/moller/about/index.rst @@ -102,15 +102,26 @@ moller was tested on the following platforms: - Ubuntu Linux + python3 -moller is pre-installed and available on the following supercomputer systems: - -- `ISSP supercomputers `_ (The University of Tokyo): kugui, ohtaka -- Tohoku University supercomputer: `AOBA `_ -- Kyushu University supercomputer: `Genkai `_ - -The following system is already supported by moller, while pre-installation is in progress (as of August 14, 2026): - -- Information Technology Center, The University of Tokyo: `Miyabi `_ - -For instructions on using moller on these systems, please refer to the user guide of each system. +moller is available on the following supercomputer systems. +For instructions on using moller on each system, please refer to its user guide. + +.. list-table:: + :header-rows: 1 + :widths: 20 50 30 + + * - System + - Operated by + - Status + * - ohtaka, kugui + - `Supercomputer Center, ISSP `_, The University of Tokyo + - pre-installed + * - `AOBA `_ + - Cyberscience Center, Tohoku University + - pre-installed + * - `Genkai `_ + - Research Institute for Information Technology, Kyushu University + - pre-installed + * - `Miyabi `_ + - Information Technology Center, The University of Tokyo + - supported; pre-installation in progress (as of Aug 14, 2026) diff --git a/docs/ja/source/moller/about/index.rst b/docs/ja/source/moller/about/index.rst index 85a3493..c2aabb1 100644 --- a/docs/ja/source/moller/about/index.rst +++ b/docs/ja/source/moller/about/index.rst @@ -104,15 +104,26 @@ BibTeX形式: - Ubuntu Linux + python3 -また、以下のスーパーコンピュータでは moller がプリインストールされており、そのまま利用できます。 - -- `物性研スパコン `_ (東京大学 物性研究所): kugui, ohtaka -- 東北大スパコン (東北大学): `AOBA `_ -- 九州大スパコン (九州大学): `玄界 `_ - -以下のスーパーコンピュータは対応済みですが、プリインストールは対応中です (2026/8/14現在)。 - -- 東大情報基盤センター (東京大学): `Miyabi `_ - -これらのシステム上での具体的な利用方法については、各システムの利用手引き等をご確認ください。 +また、以下のスーパーコンピュータで moller を利用できます。 +各システム上での具体的な利用方法については、各システムの利用手引き等をご確認ください。 + +.. list-table:: + :header-rows: 1 + :widths: 20 50 30 + + * - システム + - 運用機関 + - 状況 + * - ohtaka, kugui + - `物性研究所スーパーコンピュータセンター `_ (東京大学) + - プリインストール済み + * - `AOBA `_ + - 東北大学 サイバーサイエンスセンター + - プリインストール済み + * - `玄界 `_ + - 九州大学 情報基盤研究開発センター + - プリインストール済み + * - `Miyabi `_ + - 東京大学 情報基盤センター + - 対応済み (プリインストールは対応中, 2026/8/14現在)