[gmx-developers] cmake build of gromacs 4.5.4 problem

Christoph Junghans junghans at votca.org
Wed Jun 1 11:55:25 CEST 2011


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.

Cheers,

Christoph




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