ACFDT-RPA calculations
Posted: Wed Nov 30, 2011 5:51 pm
Dear all, I'm doing ACFDT-RPA calculations for water and graphene systems. I followed the instructions in VASP manual, i.e. four steps. http://cms.mpi.univie.ac.at/vasp/vasp/g ... rgies.html
There are 1 water and 32 Carbon atoms in my system. But when the calculation came to step 3 and 4, I got messages saying that
there were no enough virtual memory. Actually I assigned 96GB memory for the calculation, which is the largest memory i can assign.
Can anybody help me with estimating the memory i need?
PS: My INCAR files in the four steps are exactly the same with the manual, did i miss anything?
There are 1 water and 32 Carbon atoms in my system. But when the calculation came to step 3 and 4, I got messages saying that
there were no enough virtual memory. Actually I assigned 96GB memory for the calculation, which is the largest memory i can assign.
Can anybody help me with estimating the memory i need?
PS: My INCAR files in the four steps are exactly the same with the manual, did i miss anything?