May I ask how to calculate roughly the RAM size from the BSE matrix dimension? You have done this in one of the posts as:
I have a smaller dimension size than 49000 and more RAM/core but still getting the memory issue using BSE inversion solver!You have a matrix of large dimension (Nd~49000). A rough estimation of the memory:
NdxNdx16/(1024^3) ~ 36Gb per core
Will there be a big difference in different BSE solvers like inversion, full diago. and Haydock etc in terms of memory consumption? But optical spectra should remain the same no matter which solver was used. Correct?
One interesting thing that I am experiencing right now is, I have switch off MPI and also OpenMP and doing a serial calculation of the same BSE matrix which I was not able to run on 125 GB ram! It is now consuming just around 20 GB RAM in serial mode!
previously I was doing on just 2 cores with 122 GB/core and was unsuccessful! So, it might be that, in parallel, the same memory is duplicating? I have changed just one thing, from inversion solver to diagonalization solver...
I will send the input and report files. If needed.