[gmx-developers] May be bug in 64-bit !
Mark.Abraham at anu.edu.au
Thu May 31 02:40:48 CEST 2007
Erik Lindahl wrote:
> Right, but this is something different since it occurs with the demo
> files that are known to work.
Ah yes, that would explain why you didn't say what I did :-) Thus almost
certainly there's a compiler library issue somewhere else in the whole
> For reference, the errors actually never occur is nsgrid.c. However,
> when your coordinates become invalid (usually NaN) for some reason like
> horribly bad structure, compiler bug, file IO error, etc., the first
> place we notice is when we try to put them on the grid to do
> We've considered adding more checks, but since those would degrade
> performance slightly we'd have to implement some "-safe" flag or similar
> that you only use when you expect an error...
...and can we force new users to use it on pain of torture? Please? :-)
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