[DFTB-Plus-User] MODES (normal modes tool): probable bug for big enough system

[Nick Papior Andersen]

It could be a general question about setting memory limits in your shell.
if using tcsh look up: limit and setting memory to unlimited
If using bash do: ulimit -s unlimited
It is hard, or should I say troublesome, to make all memory allocated.

Kind regards Nick

2012/12/14 Ol Ga <o.gaeurisco at gmail.com>

> Dear DFTB+ Users and Developers,
>
>
> Once more question related to MODES (normal modes tool).
> I tried to calculate vibrational frequencies with this tool. However,
> the program (both precompiled binaries or compiled by
> composer_xe_2011_sp1.7.256)  aborted every time when I tried to carry
> out calculations with 800 and more atomic systems. For small systems -
> no problem, but for systems of my current interest I observed only
> "segmenation fault" message.
>
> I would kindly ask you to suggest me how to overcome such a problem.
>
>
> Thank you in advance.
>
>
> Sincerely,
> Oleg B. Gadzhiev, PhD
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