Open Source Compiled and Tested on the K computer by Helpdesk

＜Notes＞ (1) The listed below are not provided by Research Organization for Information Science and Technology (RIST) or Helpdesk. Please get and use these softwares in accordance with the terms of use and the instructions presented by each provider of the softwares. (2) The softwares listed below were downloaded, compiled and partly-tested by Helpdesk. It is user's responsibility to check if the software runs correctly. Some of the softwares in the list are installed on K computer by Helpdesk. Please refer to "Open-source Software" page of "K computer portal". (3) RIST can provide assistance in tuning and parallelization. If you need such assistance, please contact Helpdesk （[email protected]）. (4) If you have any questions or requests for porting, please contact Helpdesk （[email protected]）. 2017/6/27 update No Category Software Description Web Page Language Version A next-generation mesoscale numerical weather http://www2.mmm.ucar.edu/wrf/users/dow 1 Application(weather) WRF / Version 3.5.1 prediction system nload/get_source.html

Application(distinct Stands for LAMMPS improved for general granular 2 LIGGGHTS http://www.liggghts.com/ C++ 2.3.8 element method) and granular heat transfer simulations Fortran Application(structure, 3 FrontISTR Structural Analysis for Large Scale Assembly. http://www.multi.k.u-tokyo.ac.jp/FrontISTR/ C v4.2a crash analysis) C++ Application(integrated A general-purpose coupling analysis platform in 4 REVOCAP_Coupler http://www.ciss.iis.u-tokyo.ac.jp/dl/ C 2.0 CAE) parallel environments A versatile package to perform , 5 GROMACS i.e. simulate the Newtonian equations of motion for http://www.gromacs.org C 4.6.5/5.0.7 systems with hundreds to millions of particles. 1-Feb-14 / A classical molecular dynamics code that models an 15-May-15 / 6 LAMMPS ensemble of particles in a liquid, solid, or gaseous http://lammps.sandia.gov/download.html C++ 7-Dec-15 / state. Application(molecular 17-Nov-16 dynamics) CVS-2013- 7 NAMD A parallel molecular dynamics code http://www.ks.uiuc.edu/Research/namd C++ 08-05

8 OCTA(COGNAC,SUSHI) An integrated simulation system for soft materials http://www.octa.jp/index.html C++ OCTA2013SE

Computational Fluid Dynamics Software for turbulent https://www.eng.hokudai.ac.jp/labo/fluid/do 9 Frontflow/red Fortran v3.1 combustion wnload/download.htm

Free, open source software for computational fluid http://www.openfoam.org/download/archive. 2.2.1 / 2.4.0 / Application(fluid analysis) OpenFOAM C++ dynamics （OpenFOAM Foundation） 4.1

Free, open source software for computational fluid http://www.openfoam.com/download/releas 10 OpenFOAM+ C++ v1612+ dynamics （OpenCFD Ltd (ESI Group) ） e-history.php Find the total energy, charge density and electronic 11 ABINIT structure of systems made of electrons and nuclei http://www.abinit.org/ Fortran 7.10.5 (molecules and periodic solids) A program to perform atomistic and molecular 12 CP2K simulations of solid state, liquid, molecular, and http://www.cp2k.org/ Fortran 2.5.1 biological systems.

13 GAMESS A program for ab initio molecular . http://www.msg.ameslab.gov/GAMESS/ C/Fortran May 1, 2013 Application(quantum chemistry) http://www.openmx- A first-principles software based on the pseudo- square.org/download.html 14 OpenMX C 3.7.8 / 3.8 atomic localized basis functions * Developers have confirmed normal runs on the K computer. Open-Source computer codes for electronic- 5.1.0 / 5.1.1 / 15 QuantumEspresso structure calculations and materials modeling at the http://www.quantum-espresso.org/ C/Fortran 6.1 nanoscale A code for Many-Body calculations in solid state and 15 Yambo http://www.yambo-code.org/ C/Fortran 4.0.4 molecular physics.

A command-line program that can generate two- and 16 Gnuplot http://www.gnuplot.info/ C/C++ 4.6.6 three-dimensional plots

17 gv Postscript and PDF viewer https://www.gnu.org/software/gv/ C 3.7.4 Application(others) Software suite to create, edit, compose, or convert 18 ImageMagick http://www.imagemagick.org/ C/C++ 6.8.0-4 bitmap images

A software-based implementation of the codec 19 JasPer http://www.ece.uvic.ca/~frodo/jasper/ C 1.900.1 specified in the JPEG 2000

A free, multi-threaded compression utility with 20 lbzip2 http://lbzip2.org/ C 2.5 support for bzip2 compressed file format

A parallel implementation of gzip for modern 21 pigz http://zlib.net/pigz/ C 2.3.1 multi-processor, multi-core machines Tool(others) 22 XZ Utils Free general-purpose data compression software http://tukaani.org/xz/ C 5.0.7

23 Zlib Lossless data-compression library http://zlib.net/ C 1.2.7

A collection of Fortran77 subroutines designed to http://www.caam.rice.edu/software/ARPAC 24 ARPACK / PARPACK Fortran 96 solve large scale eigenvalue problems K/

Highly optimized Linear Algebra kernels for arbitrary 25 ATLAS http://math-atlas.sourceforge.net/ C/Fortran 3.8.4 cache-based architectures

26 gsl A numerical library for C and C++ http://www.gnu.org/software/gsl/ C/C++ 1.16

Library(numerical analysis) A library for solving large, sparse linear systems of https://computation.llnl.gov/projects/hypre 27 Hypre Fortran/C/C++ 2.11.1 equations on massively parallel computers -scalable-linear-solvers-multigrid-methods A suite of data structures and routines for the 28 PETSc scalable (parallel) solution of scientific applications http://www.mcs.anl.gov/petsc/ Fortran/C/C++ 3.6.3 modeled by partial differential equations Library(numerical analysis) The Parallel Linear Algebra for Scalable Multi-core http://icl.cs.utk.edu/projectsfiles/plasma/p 29 PLASMA C/Fortran 2.6.0 Architectures ubs/

A scalable library for eigenvalue problem 30 SLEPc http://slepc.upv.es/ Fortran/C/C++ 3.6.2 computations A general purpose library for the direct solution of 31 SuperLU large, sparse, nonsymmetric systems of linear http://crd-legacy.lbl.gov/~xiaoye/SuperLU/ C/Fortran 4.3 equations

32 SuperLU_DIST SuperLU for distributed memory http://crd-legacy.lbl.gov/~xiaoye/SuperLU/ C/Fortran 3.2

Solving unsymmetric sparse linear systems, Ax=b, http://faculty.cse.tamu.edu/davis/suitespar 33 UMFPACK C 5.7.4 using the Unsymmetric MultiFrontal method se.html

1.47.0 / 34 Boost Free C++ source libraries http://www.boost.org/ C++ 1.53.0

http://www.freedesktop.org/wiki/Software/f 35 fontconfig A library for configuring and customizing font access C 2.11.1 ontconfig/

36 FreeType A freely available software library to render fonts http://www.freetype.org C 2.5.3

A library for the dynamic creation of images by 37 GD Graphics Library https://libgd.github.io/ C 2.1.0 programmers

A data model, library, and file format for storing and 38 HDF5 http://www.hdfgroup.org/HDF5/ C 5.1.8.9 managing data.

A set of C/C++ libraries providing Unicode and 39 ICU4C http://site.icu-project.org/ C/C++ 57.1 Globalization support

40 IlmBase Base library for OpenEXR http://www.openexr.com/ Fortran/C/C++ 1.0.2

41 libjpeg Free library for JPEG image compression http://www.ijg.org/ C 9a Library(others)

42 libpng The official PNG reference library http://www.libpng.org/pub/png/libpng.html C 1.6.13

43 LibRaw A library for reading RAW files http://www.libraw.org/ C/C++ 0.16.0

44 LibTIFF TIFF Library and Utilities http://www.simplesystems.org/libtiff/ C/C++ 4.0.3

45 libxml2 The XML C parser and toolkit http://xmlsoft.org/index.html C 2.9.2

Small-footprint color management engine which uses 46 Little CMS http://www.littlecms.com/ C/C++ 2.6 the International Color Consortium standard (ICC) Programs for partitioning graphs, partitioning finite http://glaros.dtc.umn.edu/gkhome/metis/m 47 METIS element meshes, and producing fill reducing orderings C 5.0.2 etis/overview/ for sparse matrices.

48 OpenEXR A high dynamic-range (HDR) image file format http://www.openexr.com/ Fortran/C/C++ 1.7.0

A library providing high-performance I/O while still http://trac.mcs.anl.gov/projects/parallel- 49 Parallel-NetCDF maintaining file-format compatibility with Unidata's C 1.2.0 netcdf/ NetCDF. Development A family of tools designed to build, test and package http://www.cmake.org/cmake/resources/so 50 CMAKE C++ 3.2.3 environment(tool) software ftware.html

An interpreter for the PostScript language and for 51 Ghostscript http://www.ghostscript.com/ C/C++ 9.14 PDF Development executive environment(interpreter) A freely available language and environment for 52 R statistical computing and graphics which provides a http://cran.r-project.org/ C/C++/Fortran 3.0.1 wide variety of statistical and graphical techniques