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CUDA to SYCL conversion of the assembled bonded kernel from OpenMM

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HarmonicBond_CUDA2SYCL

This repo contains CUDA code extracted from OpenMM (https://github.com/openmm/) for computing harmonic bonds and the SYCL equivalent of this code written using DPC++ Compatibility Tool.

The CUDA code can be compiled with: nvcc bond.cu -o bond

The SYCL code can be complied with: dpcpp bond.cpp -o bond

These can be timed by running: python time.py

Running the CUDA code on Nvidia M1000M and SYCL code on Intel DevCloud targeting XeMax yeilds the following results:

openmm2

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CUDA to SYCL conversion of the assembled bonded kernel from OpenMM

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