Re: relax version 3.0.0 -- August 13, 2013 - 18:38

Hi Edward,

I got the ModelFree4 error on all the machines here. (i.e OSX as well as x86_64 and i386 -linux).

About the fortran compiler. We have versions ranging from 4.2.1 to 4.5 and also have intel compilers. We set up the version we want. Default version of gcc (gfortran on all systems is 4.2.1.

(The above is reposted for the list)

Yes I got the same chi2 Assertionerror  on the linux (both i386 and x86_64) as well as osx. 

Venkat

On Mon, Aug 12, 2013 at 9:31 PM, Edward d'Auvergne <edward.dauvergne@xxxxxxxxx> wrote:

Hi Venkat,

I think you are the first to ever run relax on Mac OS X with Art
Palmer's Modelfree program simultaneously installed!  Or at least the
first person to report this.  Note that relax is operating fine.  The
failure is only because relax is looking for exact values from
Modelfree4 but that the Mac OS X binaries produce slightly different
results to the Linux binaries.  Before I update the tests in relax
could you report which version of Modelfree4 are you using?  You may
have an old version on your system which is truncating the chi2 values
in the mfout files to 2 decimal places.  In this case there is no
point updating relax.

Cheers,

Edward

On 12 August 2013 17:48, Venkat V <venkat@xxxxxxxxxxxxxxxxxxx> wrote:
> Hi,
>
> I installed relax 3.0.0 on i386-linux(centos5), x86_64-linux(centos5) and
> osx (10.6).
>
> I ran the relax --test-suite on linux machine via command line and on OSX
> via the GUI.
>
> All tests pass except for 2 in the system functional tests.
>
> Both failures are AssertionErrors.
>
> palmer.py", line 124, in test_palmer
>     self.assertEqual(spin.chi2, chi2[model_index][spin_index])
> AssertionError: 36.62 != 36.6223
>
> ======================================================================
> FAIL: test_palmer_omp (test_suite.system_tests.palmer.Palmer)
> Test a complete model-free analysis using 'Modelfree4' with the OMP
> relaxation data, a PDB file, and a spheroid tensor.
>
>
> palmer.py", line 225, in test_palmer_omp
>     self.assertEqual(spin.chi2, chi2[model_index][spin_index])
> AssertionError: 143.7 != 143.6773
>
> Venkat
>
>

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