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From: Julian S. <js...@ac...> - 2006-01-01 17:02:47
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> I'm running our CP2K program under valgrind (memcheck) and I'm finding > that some of the numerical results are slightly different between a normal > run and a run under valgrind. The difference is very minor (e.g. > -0.94268415669060 vs. -0.94268415669059) and could be due to differences > in rounding, but is reproducible (and no errors are generated by > valgrind). I'm a bit surprised. Is this a known issue ? Yes. See here for a discussion of FP limitations in Valgrind: http://www.valgrind.org/docs/manual/manual-core.html#manual-core.limits Let us know if these limitations are a problem. J |