Setting MOLCAS_MEM
Dear all,
I am trying to run a very large CAS(18,20)CI calculation (pre-optimized with DMRG) on a 1TB node. I set MOLCAS_MEM to e.g. 550Gb and it crashes with a memory error stating that only ~ 65Gb are available to (Open)MOLCAS and 112 Gb were requested which is in contradiction to the MOLCAS_MEM variable. "free -mh" shows me that 999 GB of memory are available on the node.
Thanks in advance for any help!