The ABINIT Users Mailing List ( CLOSED )

[Hua Bao <hbao@purdue.edu>]

Dear all,

I am calculating the band structure for a large system with 120 atom in 
the unit cell. The estimate memory need is 20 GB. I am wondering how 
will the memory need distribute to each node. Currently I am using a 
dual processor dual core system with the memory of 8GB. Is it possible 
to do such a calculation using parallel abinit with three such computers?

The other way is to limit the accuracy of this calculation. I have 
already limit the ecut and nband, and also using a fairly small grid for 
k point. Is there any other parameter affect the memory need?

Thanks,
Hua