[gmx-developers] Any known gcc 4.1 issues?

[hess at sbc.su.se]

Hi,

Which Gromacs version is this?
And this is not with GBSA?
I assume this is in parallel?
In all 4.0 versions there is a bug in the graph code,
but I have never seen that being triggered.

You probably wouldn't know if 4.1.3 does better?

Berk

> Hi,
>
> we have a simulation in our group (Xiaohu's system) which shows much
> larger
> energy fluctuations (on a ~10ns time-scale) if compiled with 4.1.2.
> These fluctuation are large enough for the system to explode infrequently.
> The system behaves as expected (without the large fluctuations/explosions)
> when compiled with 4.4.4.
>
> Roland
>
> On Thu, Jun 24, 2010 at 11:05 AM, Berk Hess <hess at cbr.su.se> wrote:
>
>> Hi,
>>
>> We just found out a that a bug that frequently showed up and we thought
>> might be due to a bug in gcc 4.1
>> was actually a bug in the GB sse2 (not sse3) code that only got
>> triggered with gcc 4.1 with -O2 or -O3.
>>
>> So my question is now:
>> Do you know of any issues with gcc 4.1.x on non-GB simulations?
>>
>> Thanks,
>>
>> Berk
>>
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>
>
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