EasySpin forum

There is also the potential for offloading some of the computation to the videocard(nvidia CUDA) and parallelization that you gain from doing that, again though, if you keep it all in Matlab that's more toolboxes.(unless the core functions are rewritten in Fortran or C++ and run in Matlab through ME...

Well technically you can run optimizations in parallel, you just can't use esfit. You would just need to find an appropriate minimization routine that runs in parallel and design a function that searches the parameter space you desire. Though with respect to parallelization larger speed gains might ...

Why would you want to limit the time of esfit? By prematurely stopping an optimization you're not likely to be at a parameter space minimum(on the way but not there yet). Perhaps a better method would be to decrease the step tolerance or function tolerance for coarse optimizations in parameter space.

Another suggestion would be to parse how long pepper actually takes to run a single simulation through the use of tic and toc.
With that in hand you can get a better idea of how long you need to make FitOpt.maxTime.