├── .clang-format ├── .gitignore ├── .gitignore_additions ├── .gitlab-ci.yml ├── CLA_ChASE.pdf ├── CMakeLists.txt ├── Impl ├── CMakeLists.txt ├── chase_cpu │ ├── CMakeLists.txt │ └── chase_cpu.hpp ├── chase_gpu │ ├── CMakeLists.txt │ ├── chase_gpu.hpp │ ├── cuda_utils.hpp │ └── nvtx.hpp ├── config │ └── config.hpp ├── pchase_cpu │ ├── CMakeLists.txt │ └── pchase_cpu.hpp └── pchase_gpu │ ├── CMakeLists.txt │ └── pchase_gpu.hpp ├── LICENSE ├── README.md ├── algorithm ├── algorithm.hpp ├── algorithm.inc ├── chaseBase.hpp ├── configuration.hpp ├── interface.hpp ├── performance.hpp └── types.hpp ├── cmake ├── Config.cmake.in ├── external │ ├── Gtest │ │ └── FetchGtest.cmake │ └── popl │ │ ├── Fetchpopl.cmake │ │ └── popl.patch ├── modules │ ├── FindELPA.cmake │ ├── FindNCCL.cmake │ └── FindSCALAPACK.cmake └── tests │ └── cuda_aware_mpi_test.cpp ├── docs ├── CMakeLists.txt ├── ChASE_flowchart │ ├── block-cyclic.png │ ├── block-cyclic.pptx │ ├── flow-chart-chase_standalone.pdf │ ├── flow-chart-chase_standalone.png │ ├── flow-chart-chase_standalone.tex │ ├── flowchart_textwidth.tex │ └── readme.txt ├── GITLAB_CI_DOCS_SNIPPET.yml ├── QR-RR.rst ├── _static │ ├── default.css │ ├── logo.png │ └── theme_overrides.css ├── _templates │ ├── layout.html │ └── version_selector.html ├── _themes │ └── sphinx_rtd_theme │ │ ├── __init__.py │ │ ├── breadcrumbs.html │ │ ├── footer.html │ │ ├── layout.html │ │ ├── layout.html.backup │ │ ├── layout_old.html │ │ ├── search.html │ │ ├── searchbox.html │ │ ├── static │ │ ├── css │ │ │ ├── badge_only.css │ │ │ ├── badge_only.css.map │ │ │ ├── theme.css │ │ │ └── theme.css.map │ │ ├── fonts │ │ │ ├── FontAwesome.otf │ │ │ ├── Inconsolata-Bold.ttf │ │ │ ├── Inconsolata-Regular.ttf │ │ │ ├── Lato-Bold.ttf │ │ │ ├── Lato-Regular.ttf │ │ │ ├── RobotoSlab-Bold.ttf │ │ │ ├── RobotoSlab-Regular.ttf │ │ │ ├── fontawesome-webfont.eot │ │ │ ├── fontawesome-webfont.svg │ │ │ ├── fontawesome-webfont.ttf │ │ │ └── fontawesome-webfont.woff │ │ └── js │ │ │ ├── modernizr.min.js │ │ │ └── theme.js │ │ ├── theme.conf │ │ └── versions.html ├── abstract.rst ├── api │ ├── algorithm.rst │ ├── chasebase.rst │ ├── chaseconfig.rst │ ├── grid.rst │ ├── implementations.rst │ ├── index.rst │ ├── kernels.rst │ ├── matrices.rst │ ├── performance.rst │ └── platform.rst ├── chase.rst ├── conf.py ├── example.rst ├── example │ ├── gev.rst │ ├── helloworld.rst │ ├── io.rst │ └── sequence.rst ├── hooks │ └── pre-commit ├── images │ ├── ChASE_Logo_Favicon_RGB.png │ ├── ChASE_Logo_Icon_RGB.jpg │ ├── ChASE_Logo_Icon_RGB.png │ ├── ChASE_Logo_RGB.jpg │ ├── ChASE_Logo_RGB.png │ ├── ChASE_UML.jpg │ ├── ChASE_flowchart.pdf │ ├── ChASE_flowchart.png │ ├── block-cyclic.png │ └── flow-chart-chase_standalone.png ├── index.rst ├── installation.rst ├── license.rst ├── module.rst ├── parameters.rst ├── quick-start.rst ├── reference.rst ├── usage.rst └── version.rst ├── examples ├── 0_hello_world │ ├── 0_hello_world.cpp │ └── CMakeLists.txt ├── 2_input_output │ ├── 2_input_output.cpp │ └── CMakeLists.txt ├── 3_installation │ ├── CMakeLists.txt │ ├── Makefile │ ├── chase-app.cpp │ ├── chase-c.c │ └── chase-f.f90 ├── 4_interface │ ├── 4_c_dist_chase.c │ ├── 4_c_serial_chase.c │ ├── 4_f_dist_chase.f90 │ ├── 4_f_serial_chase.f90 │ └── CMakeLists.txt ├── 5_bse_benchmark │ ├── 5_bse_benchmark.cpp │ └── CMakeLists.txt └── CMakeLists.txt ├── external ├── CMakeLists.txt ├── blaspp │ ├── blas_fortran.hpp │ ├── blaspp.hpp │ └── blaspp.inc ├── cublaspp │ └── cublaspp.hpp ├── cusolverpp │ └── cusolverpp.hpp ├── lapackpp │ ├── lapack_fortran.hpp │ ├── lapackpp.hpp │ └── lapackpp.inc └── scalapackpp │ ├── scalapackpp.hpp │ └── scalapackpp.inc ├── grid ├── CMakeLists.txt ├── mpiGrid2D.hpp ├── mpiTypes.hpp └── nccl_utils.hpp ├── interface ├── CMakeLists.txt ├── chase_c_interface.cpp ├── chase_c_interface.h └── chase_fortran_interface.f90 ├── linalg ├── CMakeLists.txt ├── distMatrix │ ├── distMatrix.hpp │ └── distMultiVector.hpp ├── internal │ ├── cpu │ │ ├── cholqr1.hpp │ │ ├── cpu_kernels.hpp │ │ ├── lanczos.hpp │ │ ├── rayleighRitz.hpp │ │ ├── residuals.hpp │ │ ├── symOrHerm.hpp │ │ └── utils.hpp │ ├── cuda │ │ ├── absTrace.cu │ │ ├── absTrace.cuh │ │ ├── absTrace.hpp │ │ ├── cholqr.hpp │ │ ├── cuda_kernels.hpp │ │ ├── flipSign.cu │ │ ├── flipSign.cuh │ │ ├── flipSign.hpp │ │ ├── lacpy.cu │ │ ├── lacpy.cuh │ │ ├── lacpy.hpp │ │ ├── lanczos.hpp │ │ ├── precision_conversion.cu │ │ ├── precision_conversion.cuh │ │ ├── random_normal_distribution.cu │ │ ├── random_normal_distribution.cuh │ │ ├── random_normal_distribution.hpp │ │ ├── rayleighRitz.hpp │ │ ├── residuals.cu │ │ ├── residuals.cuh │ │ ├── residuals.hpp │ │ ├── shiftDiagonal.cu │ │ ├── shiftDiagonal.cuh │ │ └── shiftDiagonal.hpp │ ├── cuda_aware_mpi │ │ ├── cholqr.hpp │ │ ├── cuda_mpi_kernels.hpp │ │ ├── flipSign.hpp │ │ ├── hemm.hpp │ │ ├── lanczos.hpp │ │ ├── quasi_hermitian_lanczos.hpp │ │ ├── quasi_hermitian_rayleighRitz.hpp │ │ ├── rayleighRitz.hpp │ │ ├── residuals.hpp │ │ ├── shiftDiagonal.hpp │ │ └── symOrHerm.hpp │ ├── mpi │ │ ├── cholqr.hpp │ │ ├── flipSign.hpp │ │ ├── hemm.hpp │ │ ├── lanczos.hpp │ │ ├── mpi_kernels.hpp │ │ ├── quasi_hermitian_lanczos.hpp │ │ ├── quasi_hermitian_rayleighRitz.hpp │ │ ├── rayleighRitz.hpp │ │ ├── residuals.hpp │ │ ├── shiftDiagonal.hpp │ │ └── symOrHerm.hpp │ ├── nccl │ │ ├── cholqr.hpp │ │ ├── flipSign.hpp │ │ ├── hemm.hpp │ │ ├── lanczos.hpp │ │ ├── nccl_kernels.hpp │ │ ├── quasi_hermitian_lanczos.hpp │ │ ├── quasi_hermitian_rayleighRitz.hpp │ │ ├── rayleighRitz.hpp │ │ ├── residuals.hpp │ │ ├── shiftDiagonal.hpp │ │ └── symOrHerm.hpp │ └── typeTraits.hpp └── matrix │ └── matrix.hpp ├── scripts ├── build_docs.sh ├── deploy_docs_manual.sh └── update_version_list.py └── tests ├── CMakeLists.txt ├── block_dist_herm_run.cpp ├── block_dist_quasi_run.cpp ├── cyclic_dist_herm_run.cpp ├── cyclic_dist_quasi_run.cpp ├── dist_quasi_noinput.cpp ├── grid ├── CMakeLists.txt └── mpiGrid2D.cpp ├── herm_run.cpp ├── linalg ├── CMakeLists.txt └── internal │ ├── BSE_matrices │ ├── SH_eigs_cdouble_random_BSE.bin │ ├── SH_eigs_cdouble_tiny_random_BSE.bin │ ├── SH_eigs_cfloat_random_BSE.bin │ ├── SH_eigs_cfloat_tiny_random_BSE.bin │ ├── SH_eigs_double_random_BSE.bin │ ├── SH_eigs_double_tiny_random_BSE.bin │ ├── SH_eigs_float_random_BSE.bin │ ├── SH_eigs_float_tiny_random_BSE.bin │ ├── cdouble_random_BSE.bin │ ├── cdouble_tiny_random_BSE.bin │ ├── cfloat_random_BSE.bin │ ├── cfloat_tiny_random_BSE.bin │ ├── double_random_BSE.bin │ ├── double_tiny_random_BSE.bin │ ├── eigs_cdouble_random_BSE.bin │ ├── eigs_cdouble_tiny_random_BSE.bin │ ├── eigs_cfloat_random_BSE.bin │ ├── eigs_cfloat_tiny_random_BSE.bin │ ├── eigs_double_random_BSE.bin │ ├── eigs_double_tiny_random_BSE.bin │ ├── eigs_float_random_BSE.bin │ ├── eigs_float_tiny_random_BSE.bin │ ├── float_random_BSE.bin │ └── float_tiny_random_BSE.bin │ ├── CMakeLists.txt │ ├── QR_matrices │ ├── matrix_cdouble_cond_10.bin │ ├── matrix_cdouble_cond_1e4.bin │ ├── matrix_cdouble_cond_ill.bin │ ├── matrix_cfloat_cond_10.bin │ ├── matrix_cfloat_cond_1e4.bin │ ├── matrix_cfloat_cond_ill.bin │ ├── matrix_double_cond_10.bin │ ├── matrix_double_cond_1e4.bin │ ├── matrix_double_cond_ill.bin │ ├── matrix_float_cond_10.bin │ ├── matrix_float_cond_1e4.bin │ └── matrix_float_cond_ill.bin │ ├── cpu │ ├── CMakeLists.txt │ ├── TestConditions.hpp │ ├── cholqr1.cpp │ ├── flipSign.cpp │ ├── lanczos.cpp │ ├── quasi_hermitian_lanczos.cpp │ ├── quasi_hermitian_rayleighRitz.cpp │ ├── rayleighRitz.cpp │ ├── residuals.cpp │ └── symOrHerm.cpp │ ├── cuda │ ├── CMakeLists.txt │ ├── absTrace.cpp │ ├── cholqr.cpp │ ├── flipSign.cpp │ ├── lacpy.cpp │ ├── lanczos.cpp │ ├── quasi_hermitian_lanczos.cpp │ ├── quasi_hermitian_rayleighRitz.cpp │ ├── rayleighRitz.cpp │ ├── residuals.cpp │ └── shiftDiagonal.cpp │ ├── cuda_aware_mpi │ ├── CMakeLists.txt │ ├── cholqr.cpp │ ├── hemm.cpp │ ├── lanczos.cpp │ ├── quasi_hermitian_hemm.cpp │ ├── quasi_hermitian_lanczos.cpp │ ├── 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