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-- Mengjuei Hsieh, Luo group, Molecular Biology and Biochemistry, University of California Irvine. Tel: 49562, Address: 3144 Natural Science I building, UCI, Irvine CA 92697-3900. Group Homepage: http://rayl0.bio.uci.edu/ On 6/15/04 12:47 PM, Robert Duke at rduke.email.unc.edu wrote: > Mengjuei - > Thanks much for working on this apple/pmemd stuff. I have no apple > resources whatsoever, so I am going to stay out of the fray; please just > thoroughly test before checkin. I would also recommend that maybe we make > the conditional something like APPLE_VEC (or something else that effectively > indicates the scope of the usage) instead of vecLib. > Regards - Bob Duke > ----- Original Message ----- > From: "Mengjuei Hsieh" <mengjueh.uci.edu> >> Hi, >> Although there are few people playing AMBER on Macintosh here, this is just >> for your information. >> I attached a wrapper for vrsqrtf (1/r^.5) in altivec (available in Apple >> G4/G5 machine) on MacOS X. You can call vrsqrtd_wrapper(input array, output >> array, number of item in the array) from PMEMD. This wrapper accepts double >> precision input and output while altivec is still thinking in single >> precision, so beware of those accuracy issues. >> And the patch file for PMEMD as a minimal modification (just an added-in >> modification, it won't delete any line or modify any loop in the code). >>[skipped]