What would you like to report?
Thank you very for working hard to make it possible to compute the hessian as well! However, on local resources, I always run out of memory (OOM) using this option for medium-sized molecules (50 atoms or so). This issue was actually already addressed (#1361), but the vram option in the function there, which makes it possible to drastically reduce memory consumption to a more normal level, is unfortunately not an option in the currently implemented method (#1811). Is it possible to add such an option back in, or is there any other currently implemented way to reduce the memory consumption when calculating the hessian?
What would you like to report?
Thank you very for working hard to make it possible to compute the hessian as well! However, on local resources, I always run out of memory (OOM) using this option for medium-sized molecules (50 atoms or so). This issue was actually already addressed (#1361), but the
vramoption in the function there, which makes it possible to drastically reduce memory consumption to a more normal level, is unfortunately not an option in the currently implemented method (#1811). Is it possible to add such an option back in, or is there any other currently implemented way to reduce the memory consumption when calculating the hessian?