cguzman95
commented
4 years ago Update: aqueous working fine. Only left to execute on gpu HL & SIMPOL phase transfer. For the moment, these reactions will be computed on CPU. The reason is that they need use a lot of code and various functions between files to only compute calc_deriv. Since we will do modifications on this code (atleast for C++ on v2.0), and these reactions should have a low impact, I will wait until this modifications to adapt them on GPU. This should be re-studied only if in Monarch compute this reactions apart takes a lof of time
rxn_aqueous_equilibrium, rxn_HL_phase_transfer and rxn_SIMPOL_phase_transfer crash in rxn_calc_deriv_gpu
Investigating the issue on rxn_aqueous, strange things come out: uncommenting reverse rate calculation with state AND mass_frac_to_M avoid the crash, and accessing independently these variables does not crash. I guess is some related with all the registers allocated on GPU from the Defines, that makes access some memory crash.
[UPDATED]: All these functions had a lot of calculations when I discover the bug, but in recent versions, this computes has reduced, plus a simpler Jacobian implementation was added on maybe the bug is easier to identify. Check if the bug persists in recent versions.