[gmx-developers] bug in LJ-only loops

[David van der Spoel]

Hi,

recently a bug was discovered in the LJ only innerloop for Athlon.
I have now experienced the same bug in the SSE-loops. Since you will get
complete garbage when encountering that bug, there is no risk of wrong
results.  I will try to fix it tomorrow (a fix for the AMD was provided by
Michael Patra).

Groeten, David.
________________________________________________________________________
Dr. David van der Spoel, 	Biomedical center, Dept. of Biochemistry
Husargatan 3, Box 576,  	75123 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://zorn.bmc.uu.se/~spoel
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