[Wien] swap

[Stefaan Cottenier]

> I have a problem. My computer has 4Gb memory, cpu dual core 2.8 and 8 
> Gb swap space.
> but when scf or dstart are running , swap space not used

Be happy! If you really have to use the swap space, performance goes 
down with more than a factor of 10.

> and only 1 Gb memory is used. 
> how can i improve this.

Again, be happy. The amount of memory used is determined by your problem 
size (number of atoms, symmetry, size of basis set,... all summarized in 
the matrix size to be found at the :RKM label in case.scf). If your 
problem is small enough, you do not need more than 1 Gb. In your case, 
you are (as far as memory is concerned) safe to move to harder problems 
later on.

Stefaan


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