Dear All,
When I set Dmol calculation, I am always confused about 'Max. memory' parameter in 'Job control' tab.
Does the 'Max memory' mean the memory allocated per each CPU or per all CPU?
For example, I have a computer with a quad core CPU (total 8 CPUs counted in 'Job Control' tab) and with 8 GB memnory.
Then, when I perform a job calulated by 8 CPUs, should I set 8000MB or 1000MB?
Also, if I set the 'Max. memory' too high, could it make any problem in my calculation?
When I checked the former discussions, I found that someone said too high momory allocation could make inaccuray.
Then, how much % of memory will be appropriate for Dmol calculation?
Best regards,