[gmx-developers] md->nalloc initialization

David van der Spoel spoel at xray.bmc.uu.se
Fri Feb 13 06:40:58 CET 2009

qkli at iccas.ac.cn wrote:
> Dear Gmx-developers,
> When I read the codes, I found the md->nalloc (void atoms2md(...) in mdatoms.c)
> is not properly initialized(t_mdatoms *init_mdatoms(...)) before being used in comparison
> if (md->nr > md->nalloc)
> even though the default behavior of some compilers may set it to zero,
> but it's not always true.
> I hope I'm wrong!

The memory allocation in
in routine init_mdatoms sets the content of the structure to zero, 
including nalloc. No worries here, but we appreciate people critically 
inspecting the code, thanks for that.

> Qikai Li
> ---- 
> 2009-2-13
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David van der Spoel, Ph.D., Professor of Biology
Molec. Biophys. group, Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone:	+46184714205. Fax: +4618511755.
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se

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