RAM utilization inefficiency

[Nourheikal]

Hi I am Nour , I am working on research In DFT , I am using nwchem on a HPC with 48 core , 256 GB RAM , 8 Numa Nodes , i have a problem understanding th memory allocations on NWchem documentation and choosing one for my calculations my single point and optmization calculations take way to long and only takes 11 gb of ram even though i use , memory stack 13500 mb heap 13000 mb global 230000 mb config , and i use and sjob file for run containing mpirun --allow-run-as-root -np $2 numactl --interleave=all /usr/bin/nwchem $1.nw > $1.out & , what should I do to maxmize RAM utlization I use version 7.0.2

[edoapra]

Let's stick to a single communication channel
https://groups.google.com/g/nwchem-forum/c/YjMftI4HQ4s/m/IKSTDXIiCwAJ