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

[David van der Spoel]

> make[3]: ** [grompp] Erro 1
> make[3]: Leaving directory 
> `/home/johannes/src/gromacs/gromacs-3.3/src/kernel'
> make[2]: ** [all-recursive] Erro 1
> make[2]: Leaving directory `/home/johannes/src/gromacs/gromacs-3.3/src'
> make[1]: ** [all] Erro 2
> make[1]: Leaving directory `/home/johannes/src/gromacs/gromacs-3.3/src'
> make: ** [all-recursive] Erro 1
> **********************************************************************************************
> 
> Trying withou the "-ipo" flag now. It still yelds the same weird warning 
> (warning #147: declaration is incompatible with "double invsqrt(double)" 
> (declared at line 565 of "/usr/local/intel/include/math.h")

rename all gromacs invsqrt calls to gmx_invsqrt

be assured that invsqrt didn't exist in the intel compiler in previous 
releases, but now that it does we'll have to adapt it seems.

ipo is useless for gromacs.

do also turn off X11 at the configure stage




-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se
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