[gmx-users] GROMACS 5.0 - second beta released!

[Roland Schulz]

Hi,

I uploaded fixes for both issues:
https://gerrit.gromacs.org/#/c/3040/
https://gerrit.gromacs.org/#/c/3041/

Thanks for the feedback.

Roland



On Wed, Jan 29, 2014 at 12:59 PM, Mirco Wahab <
mirco.wahab at chemie.tu-freiberg.de> wrote:

> On 29.01.2014 15:06, Mirco Wahab wrote:
> > A test run (martini small vesicle system,
> > 250K atoms) did start promising but crashed
> > after 15 min without any indication. (I'll
> > try without gpu later).
>
> I identified the problem. It is the same problem
> that also required a patch in the 4.6.x versions
> on Windows.
>
> The default stack size with Visual Studio compilers
> is 1MB, therefore you have to modify:
>
>   - - - - - - - - - - - - - - - - - - - - - - - - - - -
>
>    ../gromacs-5.0-beta2/src/gromacs/fileio/gmxfio.c
>    [gmxfio.c] l 680:
>
>       #define CPT_CHK_LEN  1048576
>       md5_state_t   state;
>       unsigned char buf[CPT_CHK_LEN];
>
>    change last line to:
>
>       static unsigned char buf[CPT_CHK_LEN];
>
>   - - - - - - - - - - - - - - - - - - - - - - - - - - -
>
> after this, builds and runs work perfectly.
>
> M.
>
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