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ELPA_2021.11.002_release

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  • fix an error when choosing the Nvidia GPU kernel (fallback to CPU might have
    been selected)
  • support of Nvidia cusolver library to accelerate some routines (needs CUDA >= 11.4)
  • experimental Nvidia GPU versions for "elpa_invert_trm" and "elpa_cholesky"
    can be tested by setting elpa_set("gpu_invert_trm",1) and
    elpa_set("gpu_cholesky",1). Is not used otherwise
  • BUGFIX: error in resort_ev (also backported to 2021.05.002 and 2020.11.001)
  • allow to call ELPA eigenvectors and eigenvalues also with GPU device
    pointers for the input matrix, the vectors of eigenvalues and the output
    matrix for the eigenvectors
  • BUGFIX: error in resort_ev
  • EXPERIMENTAL feature:g new real GPU kernel for Nvidia A100 (provided by Nvidia): can show a
    performance boost if number of vectors per MPI task is > 20000. Most likely
    most benifit in non-MPI version
  • as anounced, droping the legacy interface
  • more autotuning features, for example using non blocking MPI collectives
  • new version of autotunig avoiding a combinatorial grow of possibilities
    (the old autotune version can be still used if
    elpa%autotune_set_api_version(API_VERSION, error) is set to API_VERSION <
    20211125)