Cover page for "KSHELL" code

This page is for "KSHELL", nuclear shell-model calculation code.

Noritaka Shimizu, Center for Nuclear Study, the University of Tokyo

"KSHELL" code is a shell-model code which was recently developed by N. Shimizu 
with Tokyo nuclear theory group. It works in a similar manner to traditional 
shell-model codes, such as "OXBASH", "NuShell", "ANTOINE", "mshell", and so on.

"KSHELL" code enables us to perform nuclear shell-model calculations with M-scheme
representation with the thick-restart Lanczos method. This code is easily used on a
Linux PC with a many-core CPU and OpenMP library. It is also used on a state-of-the-
art massive parallel computer with hybrid MPI+OpenMP parallel programming. This
manual explains how to use this code.
This code is equipped with a user-friendly dialogue interface to generate a shell script
to run a job. By modifying this script, the code runs on various computers including
supercomputers. Intel Fortran compiler with a Linux OS is most recommended. It can
compute energy levels, spin, isospin, magnetic and quadrupole moments, E2/M1 transi-
tion probabilities, and one-particle spectroscopic factors. Up to tens of billions M-scheme
dimension is capable, if enough memory is available on the computers.
The ground-state energy of 56Ni with a pf-shell and KB3 interaction (one billion M-
scheme dimension) was computed in 145 seconds using 512 nodes (8192 CPU cores) with
the FX10 supercomputer, at the University of Tokyo.

This software is allowed to use only for an academic purpose.
Any warranty is not available. 
If you use it, please cite the following reference in your publication.

N. Shimizu, "Nuclear shell-model code for massive parallel computation, KSHELL", arXiv:1310.5431 [nucl-th] (2013).

This software has been supported by KAKENHI grants (25870168, 17K05433),  HPCI strategic program field 5, 
and priority issue 9 to be tackled by Post-K computer.

Any information, suggestion,  interaction files to be equipped are welcome. 
Please contact the author (

原子核殻模型計算コード"KSHELL" は、M-scheme 基底を用い、Thick-restart Lanczos法による殻模型計算をおこなうプログラムです。
Linux PC 上で簡単に使え、OpenMP スレッド並列に対応しているのでCPU コアを有効に使えます。さらに、同じ使い勝手で、
MPI+OpenMP ハイブリッド並列による大規模並列計算にも使えることが特徴です。

このスクリプトを修正することにより、多くの計算機環境に対応できます。(Linux OS とIntel Fortran compiler が推奨です。)
エネルギー準位、スピン、アイソスピン期待値、磁気能率、四重極能率、E2/M1/E1/GT 遷移確率、一粒子分光学的因子を求めることができます。
M-scheme 次元にして、100 億次元を超える系の計算実績をもっており、56Ni pf-shell KB3 相互作用の基底状態
(10 億次元の行列対角化に相当) を、145 秒で計算できました。(@東京大学FX10 512 ノード、8192 コア)


N. Shimizu, "Nuclear shell-model code for massive parallel computation, KSHELL", arXiv:1310.5431 [nucl-th] (2013).

このソフトウエアは、科研費(25870168, 17K05433)、HPCI戦略分野5、ポスト京重点課題9の

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