[gmx-developers] cmake build of gromacs 4.5.4 problem

Ake Sandgren ake.sandgren at hpc2n.umu.se
Wed Jun 1 15:51:15 CEST 2011


On Wed, 2011-06-01 at 11:55 +0200, Christoph Junghans wrote:
> Am 06/01/2011 09:06 AM, schrieb Ake Sandgren:
> > Hi!
> >
> > Doing a cmake build of gromacs 4.5.4 libgmx.so.6 ends up with a RPATH
> > that looks like this.
> >
> > p-bc9902 [itest]$ chrpath -l src/gmxlib/libgmx.so.6
> > src/gmxlib/libgmx.so.6:
> > RPATH=/lap/intel-c/12.0.3.174/lib/intel64:/afs/hpc2n.umu.se/lap/intel-mkl/10.3.3.174/amd64/composerxe-2011.3.174/mkl/lib/intel64:::::::::::::::::::::::::::::
> >
> > Those "::::" at the end are slightly bad.
> > The auto* based build does not have this problem.
> >
> > Could you take a look at eliminating them? Or did i screw up something?
> > I.e. do they exist when you do a cmake build too or is it just me?
> >
> Hi Ake,
> 
> I cannot reproduce your problem with cmake
> 
> $ readelf -d libgmx.so | grep path
>   0x000000000000000f (RPATH)              Library rpath: 
> [/usr/local/gromacs/lib]
>   0x000000000000001d (RUNPATH)            Library runpath: 
> [/usr/local/gromacs/lib]
> 
> $ ldd libgmx.so | grep intel
>          libimf.so => 
> /sw/linux/intel/XE12u2/composerxe-2011.2.137/compiler/lib/intel64/libimf.so 
> (0x00007f1dd194d000)
>          libsvml.so => 
> /sw/linux/intel/XE12u2/composerxe-2011.2.137/compiler/lib/intel64/libsvml.so 
> (0x00007f1dd12a5000)
>          libintlc.so.5 => 
> /sw/linux/intel/XE12u2/composerxe-2011.2.137/compiler/lib/intel64/libintlc.so.5 
> (0x00007f1dd0f3e000)
> 
> I guess something is screwed up in your environment, which overwrites 
> the default rpath of cmake. I normally use compilervars.sh coming with 
> the Intel compiler to setup my environment.

Hmm, yes the installed lib doesn't have it. It exists in the build-dir
though. Can you please check that one? And use chrpath -l




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