[gmx-users] GMX with intel compilers

[Erik Lindahl]

Alan Wilter Sousa da Silva wrote:
> Hi List,
> 
> 	I compiled GMX 3.1.3 with ifc and icc and I found out that when
> copy the binary package to another computer without intel compilers
> library it did not run there.
> 	I have many others programmes that didn't show this problem.  So I
> believe when I compile GMX with ifc/icc is it creating binaries (like
> mdrun etc.) Intel lib dependent.  But I couldn't find any flag in Makefile
> doing reference to dynamic link (from ifc -help: -i_dynamic link Intel
> provided libraries dynamically).
> 
> 	Thus, is there a way to make GMX binaries intel compiled
> full independent of its library?

We don't explicitly ask for dynamic linking, but as far as I know the 
intel compiler doesn't link in the advanced math libraries, etc, when 
you compile. Your other program might not use functions like erf().


The way to fix it is simply to add the flag "-static" to the link line. 
I've added an "-all-static" option to configure that should appear in 
the release, but you might be able to do it manually too.

(One problem is that the Motif libraries aren't always available in a
  static flavor).

Cheers,

Erik