{"id":661,"date":"2018-05-22T03:03:17","date_gmt":"2018-05-22T03:03:17","guid":{"rendered":"https:\/\/wordpress.elsi-interchange.org\/?page_id=661"},"modified":"2022-05-27T14:11:35","modified_gmt":"2022-05-27T14:11:35","slug":"changelog-2018-05","status":"publish","type":"page","link":"https:\/\/wordpress.elsi-interchange.org\/index.php\/changelog-2018-05\/","title":{"rendered":"Changelog"},"content":{"rendered":"<h3>v2.9.1 (May 2022)<\/h3>\n<ul>\n<li>Bugfix release<\/li>\n<li>We provide a script for compiling the doc<\/li>\n<\/ul>\n<h3>v2.9.0 (April 2022)<\/h3>\n<ul>\n<li>The indices have been updated to integer8 instead of integer4.<br \/>\nThis allows us to use a relatively small number of MPI ranks for relatively large matrices.<br \/>\nThis update is essential for accelerators (GPU,TPU,&#8230;).<br \/>\nThe interface is updated so that both integer8 and integer4 should work.<\/li>\n<li>Add Cholesky extrapolation for density matrix when used with elsi restart files.<br \/>\novlp_old and dm are read from disk and not stored in the elsi handle, thus, a separate interface was needed.<\/li>\n<li>The single precision is used for forward and backward transformation to the standard eigenvalue problem.<br \/>\nThis further save the computational cost in the mixed precision calculations.<\/li>\n<li>We updated the ELPA version to 2021.11.001, the old ELPA version is still the default.<br \/>\nWhile the new version can be switched on with the cmake option USE_ELPA_2021.<\/li>\n<li>We provide a description and examples for elsipy.<\/li>\n<li>We update EigenExa to 2.11.<\/li>\n<li>The ELSI can be installed via <a href=\"https:\/\/github.com\/conda-forge\/elsi-feedstock\">conda-forge<\/a>.<\/li>\n<li>suggest BLACS distribution<\/li>\n<\/ul>\n<h3>v2.8.2 (June 2021)<\/h3>\n<ul>\n<li>Detailed error message for wrong occupation number: bug fix<\/li>\n<\/ul>\n<h3>v2.8.1 (March 2021)<\/h3>\n<ul>\n<li>Cython interface for ELSI &#8212; elsipy<\/li>\n<li>Detailed error message for wrong occupation number<\/li>\n<\/ul>\n<h3>v2.8.0 (March 2021)<\/h3>\n<ul>\n<li>Interface for the non-Aufbau occupation.<\/li>\n<\/ul>\n<h3><\/h3>\n<h3 class=\"p1\" style=\"text-align: left;\"><span class=\"s1\">v2.7.1 (March 2021)<\/span><\/h3>\n<p><strong>ELSI<\/strong><\/p>\n<ul>\n<li class=\"p1\">\n<p class=\"p1\"><span class=\"s1\">Fixed bugs in the frozen core approximation code.<\/span><\/p>\n<\/li>\n<\/ul>\n<p><strong>Known Issues<\/strong><\/p>\n<ul>\n<li class=\"p1\"><span class=\"s1\">The ELPA code can not be compiled with the NAG Fortran compiler, due to the<\/span><span class=\"s1\"> use of GNU extensions in ELPA.<\/span><\/li>\n<li class=\"p1\">Depending on the choice of k-points, the complex PEXSI solver may randomly <span class=\"s1\">fail at the inertia counting stage.<\/span><\/li>\n<\/ul>\n<hr \/>\n<h3 class=\"p1\" style=\"text-align: left;\"><span class=\"s1\">v2.7.0 (March 2021)<\/span><\/h3>\n<p><strong>ELSI<\/strong><\/p>\n<ul>\n<li class=\"p1\">\n<p class=\"p1\"><span class=\"s1\">Added support for frozen core approximation when using the dense eigensolver\u00a0<\/span><span class=\"s1\">interfaces with ELPA and LAPACK.<\/span><\/p>\n<\/li>\n<\/ul>\n<hr \/>\n<h3 class=\"p1\" style=\"text-align: left;\"><span class=\"s1\">v2.6.4 (November 2020)<\/span><\/h3>\n<p><strong>ELSI<\/strong><\/p>\n<ul>\n<li class=\"p1\">Computation of density matrix from eigenvectors was made more robust.<\/li>\n<\/ul>\n<hr \/>\n<h3 class=\"p1\" style=\"text-align: left;\"><span class=\"s1\">v2.6.3 (November 2020)<\/span><\/h3>\n<p><strong>ELSI<\/strong><\/p>\n<ul>\n<li class=\"p1\">Computation of chemical potential and occupation numbers was made more robust.<\/li>\n<\/ul>\n<p><strong>PEXSI<\/strong><\/p>\n<ul>\n<li>Updated redistributed (PT-)SCOTCH source code to version 6.1.0.<\/li>\n<\/ul>\n<p><strong>NTPoly<\/strong><\/p>\n<ul>\n<li>Updated redistributed NTPoly source code to version 2.5.1.<\/li>\n<\/ul>\n<p><strong>EigenExa<\/strong><\/p>\n<ul>\n<li>Interface compatible with EigenExa 2.6.<\/li>\n<\/ul>\n<hr \/>\n<h3 class=\"p1\" style=\"text-align: left;\"><span class=\"s1\">v2.6.2 (July 2020)<\/span><\/h3>\n<p><strong>ELPA<\/strong><\/p>\n<ul>\n<li class=\"p1\"><span class=\"s1\">Fixed a performance regression of the ELPA2 generic kernel.<\/span><\/li>\n<\/ul>\n<hr \/>\n<h3 class=\"p1\" style=\"text-align: left;\"><span class=\"s1\">v2.6.1 (June 2020)<\/span><\/h3>\n<p><strong>PEXSI<\/strong><\/p>\n<ul>\n<li class=\"p1\">\n<p class=\"p1\"><span class=\"s1\">Removed an improper abort from the error handling code of PEXSI.<\/span><\/p>\n<\/li>\n<\/ul>\n<hr \/>\n<h3 class=\"p1\" style=\"text-align: left;\"><span class=\"s1\">v2.6.0 (June 2020)<\/span><\/h3>\n<p><strong>ELSI<\/strong><\/p>\n<ul>\n<li class=\"p1\"><span class=\"s1\">C compiler and MPI-3 have become mandatory to build ELSI.<\/span><\/li>\n<li><span class=\"s1\">Added an option to choose which sparsity pattern to use when converting input <\/span><span style=\"font-size: inherit;\">dense matrices to the sparse format used by the solver.<\/span><\/li>\n<\/ul>\n<p><strong>ELPA<\/strong><\/p>\n<ul>\n<li class=\"p1\"><span class=\"s1\">Updated redistributed ELPA source code to version 2020.05.001, which supports <\/span><span class=\"s1\">single-precision calculations, autotuning of runtime parameters, and (NVIDIA) <\/span><span class=\"s1\">GPU acceleration.<\/span><\/li>\n<\/ul>\n<p><strong>PEXSI<\/strong><\/p>\n<ul>\n<li class=\"p1\"><span class=\"s1\">AAA method has become the default pole expansion method in PEXSI.<\/span><\/li>\n<li class=\"p1\"><span class=\"s1\">Increased default number of poles from 20 to 30.<\/span><\/li>\n<li class=\"p1\"><span class=\"s1\">Improved accuracy of pole expansion based on minimax rational approximation.<\/span><\/li>\n<li class=\"p1\"><span class=\"s1\">Updated redistributed (PT-)SCOTCH source code to version 6.0.9.<\/span><\/li>\n<\/ul>\n<p class=\"p1\"><strong><span class=\"s1\">NTPoly<\/span><\/strong><\/p>\n<ul>\n<li class=\"p1\"><span class=\"s1\">Updated redistributed NTPoly source code to version 2.5.0.<\/span><\/li>\n<\/ul>\n<p><strong><span class=\"s1\">SLEPc-SIPs<\/span><\/strong><\/p>\n<ul>\n<li><span class=\"s1\">Interface compatible with PETSc 3.13 and SLEPc 3.13.<\/span><\/li>\n<\/ul>\n<hr \/>\n<h3 class=\"p1\" style=\"text-align: left;\"><span class=\"s1\">v2.5.0 (February 2020)<\/span><\/h3>\n<p><strong>ELSI<\/strong><\/p>\n<ul>\n<li><span class=\"s1\">Added utility subroutines to retrieve the internally computed eigenvalues, eig<\/span><span class=\"s2\">e<\/span><span class=\"s1\">nvectors, and occupation numbers when using density matrix solver interfaces with an eigensolver.<\/span><\/li>\n<li class=\"p1\"><span class=\"s1\">Fixed Marzari-Vanderbilt broadening.<\/span><\/li>\n<\/ul>\n<p><strong>Solvers<\/strong><\/p>\n<ul>\n<li class=\"p1\"><span class=\"s1\">Added support for the Bethe-Salpeter eigensolvers in the BSEPACK library.<\/span><\/li>\n<\/ul>\n<p><strong>ELPA<\/strong><\/p>\n<ul>\n<li class=\"p1\"><span class=\"s1\">Interface for externally linked ELPA compatible with ELPA 2019.11.<\/span><\/li>\n<\/ul>\n<p class=\"p1\"><strong><span class=\"s1\">NTPoly<\/span><\/strong><\/p>\n<ul>\n<li><span class=\"s2\">Updated redistributed NTPoly source code to version 2.4.0.<\/span><\/li>\n<\/ul>\n<p><strong>PEXSI<\/strong><\/p>\n<ul>\n<li class=\"p1\"><span class=\"s1\">Updated redistributed SuperLU_DIST source code to version 6.2.0.<\/span><\/li>\n<li>\n<p class=\"p1\"><span class=\"s1\">Added support for computing the electronic entropy via the free energy density<\/span> <span class=\"s1\">matrix.<\/span><\/p>\n<\/li>\n<\/ul>\n<p><strong>BSEPACK<\/strong><\/p>\n<ul>\n<li class=\"p1\"><span class=\"s1\">Redistributed source code of BSEPACK 0.1.<\/span><\/li>\n<li>\n<p class=\"p1\"><span class=\"s1\">Added parallel BSE eigensolvers PDBSEIG and PZBSEIG.<\/span><\/p>\n<\/li>\n<\/ul>\n<hr \/>\n<h3 class=\"p1\" style=\"text-align: left;\"><span class=\"s1\">v2.4.1 (November 2019)<\/span><\/h3>\n<p><strong>ELSI<\/strong><\/p>\n<ul>\n<li class=\"p1\"><span class=\"s1\">Fixed energy-weighted density matrix computation when using ELPA and Fermi broadening.<\/span><\/li>\n<\/ul>\n<p class=\"p1\"><strong><span class=\"s1\">NTPoly<\/span><\/strong><\/p>\n<ul>\n<li><span class=\"s2\">Updated redistributed NTPoly source code to version 2.3.2.<\/span><\/li>\n<\/ul>\n<hr \/>\n<h3 class=\"p1\" style=\"text-align: left;\"><span class=\"s1\">v2.4.0 (November 2019)<\/span><\/h3>\n<p><strong>ELSI<\/strong><\/p>\n<ul>\n<li class=\"p1\"><span class=\"s1\">Fixed density matrix computation when using ELPA and Methfessel-Paxton broadening.<\/span><\/li>\n<\/ul>\n<p><strong>Solvers<\/strong><\/p>\n<ul>\n<li><span class=\"s1\">Added support for the tridiagonalization and pentadiagonalization eigensolvers implemented in the EigenExa library.<\/span><\/li>\n<li class=\"p1\"><span class=\"s1\">Added support for the one-stage and two-stage tridiagonalization eigensolvers implemented in the MAGMA library.<\/span><\/li>\n<\/ul>\n<p class=\"p1\"><strong><span class=\"s1\">EigenExa<\/span><\/strong><\/p>\n<ul>\n<li><span class=\"s2\">Interface compatible with EigenExa 2.4.<\/span><\/li>\n<li class=\"p1\"><span class=\"s1\">Added tridiagonalization eigensolver eigen<\/span><span class=\"s2\">_<\/span><span class=\"s1\">s and pentadiagonalization eigen_sx.<\/span><\/li>\n<\/ul>\n<p><strong>SLEPc-SIPs<\/strong><\/p>\n<ul>\n<li class=\"p1\"><span class=\"s1\">Interface compatible with PETSc 3.12 and SLEPc 3.12.<\/span><\/li>\n<\/ul>\n<p><strong>MAGMA<\/strong><\/p>\n<ul>\n<li><span class=\"s1\">Interface compatible with MAGMA 2.5.<\/span><\/li>\n<li class=\"p1\">Added one-stage and two-stage eigensolvers.<\/li>\n<\/ul>\n<hr \/>\n<h3 class=\"p1\" style=\"text-align: left;\"><span class=\"s1\">v2.3.1 (July 2019)<\/span><\/h3>\n<p class=\"p1\"><strong><span class=\"s1\">SLEPc-SIPs<\/span><\/strong><\/p>\n<ul>\n<li><span class=\"s2\">Fixed memory leaks in the redistributed SIPs code.<\/span><\/li>\n<li class=\"p1\"><span class=\"s2\">Interface compatible with PETSc 3.11 and SLEPc 3.11.<\/span><\/li>\n<\/ul>\n<hr \/>\n<h3 class=\"p1\" style=\"text-align: left;\"><span class=\"s1\">v2.3.0 (June 2019)<\/span><\/h3>\n<p class=\"p1\"><strong><span class=\"s1\">ELSI<\/span><\/strong><\/p>\n<ul>\n<li><span class=\"s2\">Added density matrix extrapolation subroutines for sparse matrices.<\/span><\/li>\n<li class=\"p1\"><span class=\"s2\">Extended the test suite to increase code coverage.<\/span><\/li>\n<\/ul>\n<p class=\"p1\"><strong><span class=\"s1\">ELPA<\/span><\/strong><\/p>\n<ul>\n<li class=\"p1\"><span class=\"s2\">Interface for externally linked ELPA compatible with ELPA 2019.05.<\/span><\/li>\n<\/ul>\n<p class=\"p1\"><strong><span class=\"s1\">NTPoly<\/span><\/strong><\/p>\n<ul>\n<li><span class=\"s2\">Updated redistributed NTPoly source code to version 2.3.1.<\/span><\/li>\n<li class=\"p1\"><span class=\"s2\">Fixed complex matrix conversion from BLACS<\/span><span class=\"s1\">_<\/span><span class=\"s2\">DENSE and GENERIC<\/span><span class=\"s1\">_<\/span><span class=\"s2\">COO to NTPoly.<\/span><\/li>\n<\/ul>\n<p class=\"p1\"><strong><span class=\"s1\">PEXSI<\/span><\/strong><\/p>\n<ul>\n<li><span class=\"s2\">Fixed complex energy-weighted density matrix.<\/span><\/li>\n<li class=\"p1\"><span class=\"s2\">Added support for linking ELSI against an externally compiled PEXSI.<\/span><\/li>\n<\/ul>\n<hr \/>\n<h3 class=\"p1\" style=\"text-align: left;\"><span class=\"s1\">v2.2.1 (March 2019)<\/span><\/h3>\n<p class=\"p1\"><strong><span class=\"s1\">ELSI<\/span><\/strong><\/p>\n<ul>\n<li class=\"p1\"><span class=\"s2\">Fixed LAPACK eigensolver for ill-conditioned overlap matrices.<\/span><\/li>\n<\/ul>\n<p class=\"p1\"><strong><span class=\"s1\">PEXSI<\/span><\/strong><\/p>\n<ul>\n<li class=\"p1\"><span class=\"s2\">Updated redistributed SuperLU<\/span><span class=\"s1\">_<\/span><span class=\"s2\">DIST source code to version 6.1.1.<\/span><\/li>\n<\/ul>\n<hr \/>\n<h3 class=\"p1\" style=\"text-align: left;\"><span class=\"s1\">v2.2.0 (February 2019)<\/span><\/h3>\n<p class=\"p1\"><strong><span class=\"s1\">ELSI<\/span><\/strong><\/p>\n<ul>\n<li><span class=\"s1\">Added utility subroutines for geometry optimization and molecular dynamics<\/span><span class=\"s1\"><span class=\"Apple-converted-space\">\u00a0<\/span>calculations, including reinitialization of ELSI between geometry steps, <\/span><span class=\"s1\">density matrix extrapolation, and Gram-Schmidt orthogonalization of <\/span><span class=\"s1\">eigenvectors.<\/span><\/li>\n<li class=\"p3\"><span class=\"s1\"> Extended the test suite to increase code coverage.<\/span><\/li>\n<\/ul>\n<p class=\"p1\"><strong><span class=\"s1\">Matrix formats<\/span><\/strong><\/p>\n<ul>\n<li class=\"p3\"><span class=\"s1\">Added arbitrarily distributed coordinate (GENERIC<\/span><span class=\"s3\">_<\/span><span class=\"s1\">COO) format.<\/span><\/li>\n<\/ul>\n<p class=\"p1\"><strong><span class=\"s1\">ELPA<\/span><\/strong><\/p>\n<ul>\n<li><span class=\"s1\">Interface for externally linked ELPA compatible with ELPA 2018.11.<\/span><\/li>\n<li>Fixed single-precision calculations with an externally linked ELPA.<\/li>\n<li>Fixed internal ELPA two-stage real solver with AVX512 kernel.<\/li>\n<\/ul>\n<p class=\"p1\"><strong><span class=\"s1\">NTPoly<\/span><\/strong><\/p>\n<ul>\n<li class=\"p3\"><span class=\"s1\">Updated redistributed NTPoly source code to version 2.2.<\/span><\/li>\n<\/ul>\n<p class=\"p3\"><strong><span class=\"s3\">OMM<\/span><\/strong><\/p>\n<ul>\n<li class=\"p3\"><span class=\"s1\"> Fixed libOMM Cholesky flavor with random initial guess.<\/span><\/li>\n<\/ul>\n<p class=\"p3\"><strong><span class=\"s3\">PEXSI<\/span><\/strong><\/p>\n<ul>\n<li><span class=\"s1\">Updated redistributed PEXSI source code to version 1.2.0.<\/span><\/li>\n<li class=\"p3\"><span class=\"s1\">Updated redistributed SuperLU<\/span><span class=\"s3\">_<\/span><span class=\"s1\">DIST source code to version 6.1.0.<\/span><\/li>\n<\/ul>\n<hr \/>\n<h3 class=\"p1\" style=\"text-align: left;\"><span class=\"s1\">v2.1.0 (October 2018)<\/span><\/h3>\n<p class=\"p1\"><strong><span class=\"s1\">ELSI<\/span><\/strong><\/p>\n<ul>\n<li><span class=\"s2\">Adopted literature definition of the electronic entropy.<\/span><\/li>\n<li class=\"p1\"><span class=\"s2\"> Added subroutines to query the version number and date stamp of ELSI.<\/span><\/li>\n<\/ul>\n<p class=\"p1\"><strong><span class=\"s1\">Solvers<\/span><\/strong><\/p>\n<ul>\n<li class=\"p1\"><span class=\"s2\">Added support for the density matrix purification methods implemented in the <\/span><span class=\"s2\">NTPoly library. Implementation of the same methods with dense linear algebra <\/span><span class=\"s2\">has been removed.<\/span><\/li>\n<\/ul>\n<p class=\"p3\"><strong><span class=\"s2\">ELPA<\/span><\/strong><\/p>\n<ul>\n<li><span class=\"s2\">For externally linked ELPA, added options to perform single-precision <\/span><span class=\"s2\">calculations and to automatically tune the internal runtime parameters of the <\/span><span class=\"s2\">solver.<\/span><\/li>\n<li class=\"p1\"><span class=\"s2\">Interface for externally linked ELPA compatible with ELPA 2018.05.<\/span><\/li>\n<\/ul>\n<p class=\"p3\"><strong><span class=\"s2\">NTPoly<\/span><\/strong><\/p>\n<ul>\n<li><span class=\"s2\">Redistributed source code of NTPoly 2.0.<\/span><\/li>\n<li class=\"p1\"><span class=\"s2\">Added canonical purification, trace correcting purification, 4th order trace <\/span><span class=\"s2\">resetting purification, and generalized hole-particle canonical purification <\/span><span class=\"s2\">methods.<\/span><\/li>\n<\/ul>\n<p><strong><span class=\"s2\">PEXSI<\/span><\/strong><\/p>\n<ul>\n<li class=\"p1\"><span class=\"s2\">Updated redistributed PEXSI source code to version 1.0.3, which returns the <\/span><span class=\"s2\">complex density matrix and energy-weighted density matrix instead of their transpose.<\/span><\/li>\n<\/ul>\n<p><strong><span class=\"s2\">SLEPc-SIPs<\/span><\/strong><\/p>\n<ul>\n<li class=\"p1\"><span class=\"s2\">Updated interface to support PETSc 3.9 and SLEPc 3.9.<\/span><\/li>\n<\/ul>\n<hr \/>\n<h3 class=\"p3\" style=\"text-align: left;\"><span class=\"s2\">v2.0.2 (June 2018)<\/span><\/h3>\n<p class=\"p3\"><strong><span class=\"s2\">PEXSI<\/span><\/strong><\/p>\n<ul>\n<li><span class=\"s2\">Updated redistributed PEXSI source code to version 1.0.1, which fixes the <\/span><span class=\"s2\">complex Fermi operator expansion routine.<\/span><\/li>\n<li class=\"p1\"><span class=\"s2\">Downgraded redistributed (PT-)SCOTCH source code to version 6.0.0, as newer <\/span><span class=\"s2\">versions seem to be incompatible with PEXSI.<\/span><\/li>\n<\/ul>\n<hr \/>\n<h3 class=\"p1\" style=\"text-align: left;\"><span class=\"s1\">v2.0.1 (June 2018)<\/span><\/h3>\n<p class=\"p1\"><strong><span class=\"s1\">ELSI<\/span><\/strong><\/p>\n<ul>\n<li><span class=\"s3\">Switched to the <\/span><span class=\"s4\">semantic versioning scheme.<\/span><\/li>\n<li><span class=\"s1\">Fixed building ELSI as a shared library with tests enabled.<\/span><\/li>\n<li><span class=\"s1\">Improved stability when calling PBLAS routines pdtran and pztranc.<\/span><\/li>\n<\/ul>\n<p class=\"p1\"><strong><span class=\"s1\">Known issues<\/span><\/strong><\/p>\n<ul>\n<li class=\"p3\"><span class=\"s1\">Depending on the choice of k-points, the complex PEXSI solver may fail at the <\/span><span class=\"s1\">inertia counting stage.<\/span><\/li>\n<\/ul>\n<hr \/>\n<h3 class=\"p1\" style=\"text-align: left;\"><span class=\"s1\">v2.0.0 (May 2018)<\/span><\/h3>\n<p class=\"p1\"><strong><span class=\"s1\">ELSI<\/span><\/strong><\/p>\n<ul>\n<li><span class=\"s1\">CMake build system has replaced the Makefile-based system.<\/span><\/li>\n<li><span class=\"s1\">Added support for building ELSI as a shared library.<\/span><\/li>\n<li><span class=\"s1\">Added support for spin channels and k-points.<\/span><\/li>\n<li><span class=\"s1\">Added support for energy-weighted density matrix.<\/span><\/li>\n<li><span class=\"s1\">Added support for electronic entropy calculations.<\/span><\/li>\n<li><span class=\"s1\">Added support for complex sparse matrix formats for eigensolver and density <\/span><span class=\"s1\">matrix solver interfaces.<\/span><\/li>\n<li><span class=\"s1\">Removed optional variables from mutator subroutines.<\/span><\/li>\n<li><span class=\"s1\">Added matrix I\/O subroutines using the MPI I\/O standard.<\/span><\/li>\n<li><span class=\"s1\">Removed TOMATO dependency for the test suite.<\/span><\/li>\n<li><span class=\"s1\">Added a unified JSON output framework via the FortJSON library.<\/span><\/li>\n<\/ul>\n<p class=\"p1\"><strong><span class=\"s1\">Solvers<\/span><\/strong><\/p>\n<ul>\n<li><span class=\"s1\">Added support for the SLEPc-SIPs solver (PETSc 3.8 and SLEPc 3.8 required).<\/span><\/li>\n<li class=\"p3\"><span class=\"s1\">Implemented density matrix purification with dense linear algebra operations.<\/span><\/li>\n<\/ul>\n<p class=\"p1\"><strong><span class=\"s1\">Matrix formats<\/span><\/strong><\/p>\n<ul>\n<li class=\"p3\"><span class=\"s1\">Added 1D block-cyclic compressed sparse column (SIESTA<\/span><span class=\"s6\">_<\/span><span class=\"s1\">CSC) format.<\/span><\/li>\n<\/ul>\n<p class=\"p1\"><strong><span class=\"s1\">ELPA<\/span><\/strong><\/p>\n<ul>\n<li><span class=\"s1\">Updated redistributed ELPA source code to version 2016.11.001.<\/span><\/li>\n<li><span class=\"s1\">Added AVX512 kernel.<\/span><\/li>\n<li><span class=\"s1\">Made the two-stage solver default for all matrix sizes.<\/span><\/li>\n<li class=\"p2\"><span class=\"s1\">Updated the interface for externally linked ELPA to the AEO version (ELPA <\/span><span class=\"s1\">release 2017.05 or later). GPU acceleration and GPU kernels may be enabled <\/span><span class=\"s1\">through the ELSI interface for externally linked ELPA.<\/span><\/li>\n<\/ul>\n<p class=\"p1\"><strong><span class=\"s1\">PEXSI<\/span><\/strong><\/p>\n<ul>\n<li><span class=\"s1\">Updated redistributed PEXSI source code to version 1.0.0.<\/span><\/li>\n<li><span class=\"s1\">Reduced the default number of poles to 20 without sacrificing accuracy.<\/span><\/li>\n<li><span class=\"s1\">Switched to the PT-SCOTCH library as the default sparse matrix reordering <\/span><span class=\"s1\">software.<\/span><\/li>\n<li><span class=\"s1\">Redistributed SuperLU<\/span><span class=\"s3\">_<\/span><span class=\"s1\">DIST 5.3.0 and (PT-)SCOTCH 6.0.5a libraries. Users may <\/span><span class=\"s1\">still provide their own SuperLU<\/span><span class=\"s3\">_<\/span><span class=\"s1\">DIST library linked against any compatible <\/span><span class=\"s1\">sparse matrix reordering library.<\/span><\/li>\n<li class=\"p2\"><span class=\"s1\">Removed ParMETIS as a mandatory external dependency for PEXSI.<\/span><\/li>\n<\/ul>\n<hr \/>\n<h3 class=\"p2\" style=\"text-align: left;\"><span class=\"s1\">v1.0.0 (May 2017)<\/span><\/h3>\n<p class=\"p1\"><strong><span class=\"s1\">Solvers<\/span><\/strong><\/p>\n<ul>\n<li><span class=\"s1\">ELPA (version 2016.11.001.pre)<\/span><\/li>\n<li><span class=\"s1\">libOMM<\/span><\/li>\n<li class=\"p2\"><span class=\"s1\">PEXSI (version 0.10.2)<\/span><\/li>\n<\/ul>\n<p class=\"p1\"><strong><span class=\"s1\">Matrix formats<\/span><\/strong><\/p>\n<ul>\n<li><span class=\"s1\">2D block-cyclic dense (BLACS format)<\/span><\/li>\n<li class=\"p2\"><span class=\"s1\">1D block compressed sparse column (PEXSI format)<\/span><\/li>\n<\/ul>\n","protected":false},"excerpt":{"rendered":"<p>v2.9.1 (May 2022) Bugfix release We provide a script for compiling the doc v2.9.0 (April 2022) The indices have been updated to integer8 instead of integer4. This allows us to use a<a class=\"moretag\" href=\"https:\/\/wordpress.elsi-interchange.org\/index.php\/changelog-2018-05\/\">Read More&#8230;<\/a><\/p>\n","protected":false},"author":6,"featured_media":0,"parent":0,"menu_order":0,"comment_status":"closed","ping_status":"closed","template":"","meta":{"footnotes":""},"class_list":["post-661","page","type-page","status-publish","hentry"],"_links":{"self":[{"href":"https:\/\/wordpress.elsi-interchange.org\/index.php\/wp-json\/wp\/v2\/pages\/661","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/wordpress.elsi-interchange.org\/index.php\/wp-json\/wp\/v2\/pages"}],"about":[{"href":"https:\/\/wordpress.elsi-interchange.org\/index.php\/wp-json\/wp\/v2\/types\/page"}],"author":[{"embeddable":true,"href":"https:\/\/wordpress.elsi-interchange.org\/index.php\/wp-json\/wp\/v2\/users\/6"}],"replies":[{"embeddable":true,"href":"https:\/\/wordpress.elsi-interchange.org\/index.php\/wp-json\/wp\/v2\/comments?post=661"}],"version-history":[{"count":69,"href":"https:\/\/wordpress.elsi-interchange.org\/index.php\/wp-json\/wp\/v2\/pages\/661\/revisions"}],"predecessor-version":[{"id":1411,"href":"https:\/\/wordpress.elsi-interchange.org\/index.php\/wp-json\/wp\/v2\/pages\/661\/revisions\/1411"}],"wp:attachment":[{"href":"https:\/\/wordpress.elsi-interchange.org\/index.php\/wp-json\/wp\/v2\/media?parent=661"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}