[gmx-users] intel compiler + amd64: help needed.

[David Mathog]

> 
> If it is, just let me know, cause I'm tracking those down (finding a
script
> way to back up original files before edition.) and at the same time trying
> to find some sort of "magical flag" to convince icc to *not* use the
> "invsqrt" function or the "math.h" file at all (second choice seems to
me a
> bit too strong). Seems that if it can be done on a flag it will be really
> helpfull (and easier) for most of the users. The good new is that there is
> no other error message in the ompilation, as I can see (And just a few
> warnings to see later, since they look more or less pointless).

Not a magical flag per se, but find an include file that all of these
modules use and put in it:

#define invsqrt gmx_invsqrt

That will automatically change all of the calls and the function
to the new name and avoid the existing function with the same
name in the math library.

You will of course have to recompile everything for this to work.

Regards,

David Mathog
mathog at caltech.edu
Manager, Sequence Analysis Facility, Biology Division, Caltech