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

[Mirco Wahab]

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:

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   ../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];

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after this, builds and runs work perfectly.

M.