This was already reported, there is a bugzilla filed already and we are looking at fixing it.

http://bugzilla.gromacs.org/show_bug.cgi?id=495

Rossen

On 8/6/10 2:45 PM, david.groc...@uk.fujitsu.com wrote:
Has anyone else tried this ?

The single precision version is fine with icc.

Thanks

David

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