leios commented 1 year ago

Several GPU kernels are not functional because of an unsupported dynamic function call to force(...). This adds a simple fallback for calling force(..., weight_14) as just force(...). It seems to work on my GPU, at least.

codecov[bot] commented 1 year ago

Codecov Report

Merging #77 (d77779b) into master (01dcf3e) will decrease coverage by 0.52%. The diff coverage is 100.00%.

@@            Coverage Diff             @@
##           master      #77      +/-   ##
==========================================
- Coverage   86.89%   86.37%   -0.53%     
==========================================
  Files          30       30              
  Lines        3099     3119      +20     
==========================================
+ Hits         2693     2694       +1     
- Misses        406      425      +19

Impacted Files	Coverage Δ
src/interactions/gravity.jl	`100.00% <ø> (ø)`
src/force.jl	`84.61% <100.00%> (-0.73%)`	:arrow_down:
src/zygote.jl	`77.54% <0.00%> (-2.78%)`	:arrow_down:
src/setup.jl	`94.38% <0.00%> (ø)`
src/chain_rules.jl	`55.05% <0.00%> (ø)`
src/interactions/fene_bond.jl	`92.59% <0.00%> (ø)`
src/interactions/cosine_angle.jl	`95.00% <0.00%> (ø)`
src/types.jl	`96.59% <0.00%> (+0.03%)`	:arrow_up:

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jgreener64 commented 1 year ago

Thanks, I'll remove the redundant branch in force.jl after merging this.

JuliaMolSim / Molly.jl

adding overload so GPU kernels execute without unsupported dynamic function call #77

Codecov Report