- 20 Jul, 2017 2 commits
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Andreas Marek authored
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Pavel Kus authored
Previously we checked ortonormality of eigenvectors by comparing the matrix S^T * S to identity matrix. The new feature is also checking just the diagonal of the matrix S^T * S. By that we get the information, how far are the eigenvectors from having length 1. If it turns out to be important, we could try to normalize them at the end of elpa, which is simple (in contrast with enforcing better orthogonality).
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- 19 Jul, 2017 5 commits
- 18 Jul, 2017 8 commits
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Andreas Marek authored
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Andreas Marek authored
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Andreas Marek authored
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Pavel Kus authored
for mpi_allreduce in test_check_correctness
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Pavel Kus authored
of _GEMM and P_GEMM calls
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Andreas Marek authored
The functions in elpa_utilities are considered "ELPA internal", i.e. the should not be accessible by the users and thus not be part of the API.
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Andreas Marek authored
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Andreas Marek authored
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- 17 Jul, 2017 2 commits
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Pavel Kus authored
Should be done in a more systematic way. In this case, in certain configuration 1stage_analytic test pased, while 2stage_analytic tests failed due to error larger then tolerance
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Pavel Kus authored
Introducing new test in which matrix and its eigendecomposition is known and thus can be easily created and checked directly, without the need to use scalapack or any other communication (apart from reducing error). The test is based on the fact, that if L_A and S_A are eigenvalues and eigenvectors of matrix A, respectively, and L_B and S_B eigenvalues and eigenvectors of B, then kron(L_A, L_B) and kron (S_A, S_B) are eigenvalues and eigenvectors of kron(A, B). Since it is easy to know exact eigendecomposition of a small matrix (e.g. 2x2), and kron operator has very simple structure, we can construct arbitrarily large matrix and its eigendecomposition. We only have to select small matrices such that the resulting matrix has unique and ordered eigenvalues, so that the checking of the result is than easy. Each element of matrix, eigenvector matrix and eigenvalue vector can be quickly computed independently, just using its global coordinates. The test is currently limited to matrices of size 2^n, but by storing eigendecompositions of more small matrices (e.g. 3x3 and 5x5) we could construct any matrix of size 2^n*3^m*5^o, which would probably be sufficient, since most often used sizes (150, 1000, 5000, 2000, 60000) are of this form.
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- 03 Jul, 2017 1 commit
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Lorenz Huedepohl authored
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- 01 Jun, 2017 1 commit
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Lorenz Huedepohl authored
- Remove all use of ELPA internal modules, the test programs now only use the public ELPA API. This is now enforced, by hiding the private modules - Prefix all test internal modules with "test_" to make it really clear that these modules are not to be used by users.
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- 22 May, 2017 2 commits
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Lorenz Huedepohl authored
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Lorenz Huedepohl authored
This is a bit cumbersome, as it involves yet another abstract intermediate type, but necessary due to language limitations.
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- 20 May, 2017 1 commit
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Andreas Marek authored
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- 19 May, 2017 1 commit
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Andreas Marek authored
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- 18 May, 2017 1 commit
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Andreas Marek authored
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- 16 May, 2017 2 commits
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Lorenz Huedepohl authored
The legacy API is has been (internally) ported to use the new interface. The intent is that users of the legacy API do not have to change their codes. Next step is to completely adapt the .gitlab-ci.yml file
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Lorenz Huedepohl authored
Still missing is the compatibility layer, currently it only compiles when configure is called with --disable-legacy Also, a more general solution to parameter passing via environment variables would be nice.
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- 28 Apr, 2017 2 commits
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Pavel Kus authored
There are also at least those files, where stops without 1 are present src/elpa1/legacy_interface/elpa_cholesky_template_legacy.X90: src/elpa1/legacy_interface/elpa_invert_trm_legacy.X90: src/elpa1/legacy_interface/elpa_multiply_a_b_legacy.X90: src/elpa1/legacy_interface/elpa_solve_tridi_legacy.X90: should they be also changed?
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Pavel Kus authored
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- 22 Apr, 2017 1 commit
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Andreas Marek authored
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- 18 Apr, 2017 1 commit
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Andreas Marek authored
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- 07 Apr, 2017 3 commits
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Andreas Marek authored
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Andreas Marek authored
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Andreas Marek authored
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- 04 Apr, 2017 1 commit
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Lorenz Huedepohl authored
They are in a sad state, it's all copy&paste and chaos. This commit only touches the surface so far.
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- 22 Mar, 2017 1 commit
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Andreas Marek authored
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- 17 Mar, 2017 1 commit
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Andreas Marek authored
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- 16 Mar, 2017 3 commits
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Andreas Marek authored
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Andreas Marek authored
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Andreas Marek authored
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- 18 Jan, 2017 1 commit
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Andreas Marek authored
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