[gmx-users] gmx 3.3.2 explodes with libc.so.6

[Yang Ye]

On 11/9/2007 6:47 PM, Bruce Milne wrote:
> Dear Li Qiang,
>
>>> it seems another guy get the same error(cannot pass gmxtest with
>>> rb1/acetonitrilRF) as me. and it sounds like the compatible problem
>>> between GROMACS 3.3.2 and and UBUNTU 7.10. Both are rather new.
>>>
>>> Herein I just suggest and hope others may help to install 3.3.2 on new
>>> ubuntu 7.10 to confirm the problem. 
>
>
> I have just installed 3.3.2 on my (64-bit) Ubuntu 7.10 machine 
> (dual-core Athlon64 4000+, 2GB RAM) and run the serial tests. All the 
> single and double precision tests passed with and without assembly 
> loop optimizations so I guess it's not simply Ubuntu 7.10 that is to 
> blame (unless what you are seeing is a 32-bit distribution-specific 
> problem?).
Quite likely a 32-bit specific problem.

Could anyone install dmalloc and configure gromacs to build with dmalloc 
and run the test with the new mdrun?

I did mine and found that it was due to one line in mshift.c 
"srenew(g->edge[0],n); "

mdrun output:
realloc for g->edge[0] (24 bytes, file mshift.c, line 251, 
g->edge[0]=0x0x       1)

Regards,
Yang Ye

>
> Cheers,
>
> Bruce
>