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Probe-Particle / ppafm

Classical force field model for simulating atomic force microscopy images.
MIT License
49 stars 18 forks source link

add OpenMP acceleration? #224

Closed ProkopHapala closed 10 months ago

ProkopHapala commented 10 months ago

There is huge discrepancy between speed of GPU and CPU code (>100x), which is a bit unfair because modern multi-core vectorized CPUs are able to provide much higher performance than what we are currently using.

Adding vectorized version of forcefield evaluation and probe-particle relaxation should be rather staightforward. Although it is a question if there is considerable motivation to do that when we have already super vast OpenCL implementation?

ProkopHapala commented 10 months ago

@yakutovicha @NikoOinonen

I see something about that continuous integration has failed https://github.com/Probe-Particle/ppafm/actions/runs/6744438095/job/18334286134

but the problem is in parts of code I did not touched (OpenCL, Reikna etc.)

continuous-integration

ondrejkrejci commented 10 months ago

@ProkopHapala Thank you! It seems to be working fine even on my crazy Windows laptop!