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Repository owner: DFTB+ Project (dftbplus)

scalapackfx

ScaLAPACK wrappers; checked single-process symmetric eigensolver example.

Repository · Pinned source (570cbf45836e) · Try in playground · Checked package example

GAMS classifications

About this package

Category
Linear algebra
License
BSD-2-Clause

Topics: eigenvalues, eigenvectors, fortran, linear-algebra, mpi, scalapack, wrappers

Classification scope and review notes

The upstream CMake library source list is generated with Fypp 3.2 and exact generated-output checksums. The example uses a 1-by-1 BLACS grid and pinned MPICH, ScaLAPACK and OpenBLAS native libraries. It computes eigenvalues and eigenvectors of a symmetric 3-by-3 tridiagonal matrix using scalafx_psyev, checks eigenvalues against 2-sqrt(2), 2 and 2+sqrt(2), and independently checks eigenpair residuals and orthogonality. All entries must be finite. D4a1 (ordinary real symmetric eigenproblems) applies to the tested eigensolver. This is a one-process API example, not a distributed-performance demonstration; other solvers, generalized eigenproblems and multiple processes are not verified.

Package dependencies

Resolved GitHub repositories used by the verified playground build, combining direct and indirect dependencies. This list does not describe internal module dependencies or native system libraries.

Required by this build

No additional GitHub package dependencies were recorded for this verified build.

Build record verified 2026-10-29.

Used by (0 selected packages)

No other selected build records this repository as a dependency. This is not a measure of usage outside the catalog.

Reviewed procedures

These mappings have pinned source evidence. A checked package example may exercise only some of them; source review is not a numerical benchmark.

scalafx_psyev

Module: scalapackfx_module

D4a1

D4a1: verified

Derivatives / callbacks: not applicable

The upstream CMake library source list is generated with Fypp 3.2 and exact generated-output checksums. The example uses a 1-by-1 BLACS grid and pinned MPICH, ScaLAPACK and OpenBLAS native libraries. It computes eigenvalues and eigenvectors of a symmetric 3-by-3 tridiagonal matrix using scalafx_psyev, checks eigenvalues against 2-sqrt(2), 2 and 2+sqrt(2), and independently checks eigenpair residuals and orthogonality. All entries must be finite. D4a1 (ordinary real symmetric eigenproblems) applies to the tested eigensolver. This is a one-process API example, not a distributed-performance demonstration; other solvers, generalized eigenproblems and multiple processes are not verified.

Pinned source: lib/scalapackfx.fpp · lib/scalapackfx.fypp · lib/blacsgrid.fpp

Author examples/tests: test/test_diag.f90

Load checked GAMS driver: gams-scalapackfx-eigen-reference