no parallelism in stepwise adsorption isotherm
eahenle opened this issue · 0 comments
eahenle commented
stepwise_adsorption_isotherm runs fully serially, making it very slow. This causes gcmc_long.jl to run much longer than it otherwise would for the Xenon and CO2 tests when using multiple threads.
The comments in gcmc_long.jl suggest that the CO2 tests should run in parallel, but this is not the case; the only parallel GCMC function is adsorption_isotherm, which uses pmap to distribute calls to μVT_sim; stepwise_adsorption_isotherm calls μVT_sim in a serial for-loop.