Hi,

Please be clear that failed test: simple/rb1 and complex/acetonitrilRF are due to different reasons. So far, simple/rb1 remains unknown but complex/acetonitrilRF has been solved. Also, a segmentation fault is different from results having difference to the benchmark data. Please be exact about their failure pattern when reporting.

The fix of acetonitrilRF is available in the CVS. Even you don't apply, it won't affect if you are using parallel and you are not using RF.

Regards,
Yang Ye

On 11/9/2007 7:49 PM, Li Qiang wrote:
I see. thanks for the information.

but one of my friends nearby failed on this combination just few hours
ago. Maybe we need more test for the conclusion.

Li Qiang
On Fri, 2007-11-09 at 10:47 +0000, 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?).

Cheers,

Bruce


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