Re: [Wien] RAM usage for large k-list of a big slab

Dear Prof. Blaha, Thank you for the response and suggestion! I will test with granularity it will take a while. My i9 machine is a standalone Linux desktop, therefore, I assume there is no issue with global scratch, because everything will be saved to the "case" directory? Best, Lukasz PS:

Re: [Wien] RAM usage for large k-list of a big slab

Yes, I can confirm that RAM increases from k-point to k-point in lapw1 using ifort+mkl. However, this happens ONLY with ifort-mkl, not with gfortran+openblas. Thus I conclude it is an "mkl-problem". However, switching to gfortran+openblas is not the best solution, because it seems that on

[Wien] RAM usage for large k-list of a big slab

Dear All, I would appreciate if you could comment on the RAM use during the band calculation. I attach a graph of RAM use over several hours (this is now on i9 14900k with approx. 110 GB of RAM). This is during the calculation of 51x51=2601 k-points for a very large slab (60 non-equivalent a