[Pw_forum] memory problem

[Prasenjit Ghosh]

Hi Paolo,

Thanks for your reply.


> >      per-process dynamical memory:   507.1 Mb
> >      per-process dynamical memory:  1867.8 Mb
>
> what happens in the middle?


507.1 Mb was the memory required at the beginning of one of the scf cycles.
Then the job was exited because the calculation time was over.......Then I
restart the calculation and the memory requirement jumps to  1867.8 Mb

> Is it due to some memory problem?
>
> good guess
>
> > For the same job why does the memory requirement go on increasing?
>
> during a single scf step, the amount of required memory can increase,
> but each scf step should take more or less always the same maximum
> memory.


Do you mean that from one scf cycle to another scf cycle, the memory can
increase while for different scf steps in an scf cycle it should take more
or less the same max. memory?? and if so, why does the memory requirement
from one scf cycle to another increase?....Has it something to do with the
diagonalization sub-routine?



> It is impossible to say more without at least a complete
> output. It might be a memory leak, which might come from a bug either
> in the code or in the compiler or libraries.
>

You can download the output file from the link given below:

http://www.ictp.it/~pghosh/ZnTPP-C70.gs.out

With regards,

Prasenjit.



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