[gmx-developers] Any known gcc 4.1 issues?

Roland Schulz roland at utk.edu
Mon Jul 5 23:46:31 CEST 2010


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.


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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