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

[Mark Abraham]

Thanks. It'd be nice if MSVC did what it claims to do, and create more
pages on demand for such allocations.

Mark


On Wed, Jan 29, 2014 at 6:59 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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