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  • qe-gpu-6.4.1a1   New minor release mostly containing bug fixes.

    Quantum ESPRESSO GPU v6.4.1a1

    This release aligns the GPU accelerated version with Quantum ESPRESSO v6.4.1.

    Changes

    • Updated GPU Eigensolver version

    Fixes

    • Fixed allocation of duplicated variables in gvect module.
    • Temporary workaround for a memory access problem in addusdens_gpu leading to invalid memory access when running the parallel version with 1 MPI.
  • qe-gpu-6.4a1   This is the first public alpha release of the GPU accelerated version of the Quantum ESPRESSO suite of codes.

    Quantum ESPRESSO GPU v6.4a1

    This is the first alpha release of Quantum ESPRESSO GPU, the GPU accelerated version of the Quantum ESPRESSO suite of codes. 🎉

    What's New

    This release provides an accelerated version of the pw.x code. The other applications have not been ported yet, but will likely be added in future. The GPU accelerated pw.x is fully compatible with the CPU only executable. It accepts the same inputs and options and can be used to restart simulations performed with the CPU only version. Please refer to the project wiki for more information.