[ol8_developer_EPEL] gromacs-opencl-2019.6-2.el8.aarch64

GROMACS is a versatile and extremely well optimized package to perform
molecular dynamics computer simulations and subsequent trajectory analysis.
It is developed for bio-molecules like proteins, but the extremely high
performance means it is used also in several other field like polymer chemistry
and solid state physics.

This package includes the OpenCL kernels.

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  • usr

    • share

      • doc

        • gromacs-opencl

          • OpenCLTODOList.txt

      • gromacs

        • opencl

          • gromacs

            • ewald

              • pme-gather.clh

              • pme-gpu-types.h

              • pme-gpu-utils.clh

              • pme-program.cl

              • pme-solve.clh

              • pme-spread.clh

            • gpu_utils

              • device_utils.clh

              • vectype_ops.clh

            • mdlib

              • nbnxn_consts.h

              • nbnxn_ocl

                • nbnxn_ocl_consts.h

                • nbnxn_ocl_kernel.clh

                • nbnxn_ocl_kernel_pruneonly.clh

                • nbnxn_ocl_kernel_utils.clh

                • nbnxn_ocl_kernels.cl

                • nbnxn_ocl_kernels.clh

                • nbnxn_ocl_kernels_fastgen.clh

                • nbnxn_ocl_kernels_fastgen_add_twincut.clh

            • pbcutil

              • ishift.h