mailRe: relax version 3.0.0


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Posted by Edward d'Auvergne on August 16, 2013 - 09:35:
Hi Venkat,

Thank you for all the details.  I managed to set up a second Gfortran
library on my Mac OS X test system and run Art Palmer's Modelfree 4.20
binary for Intel systems on it.  I discovered that there is a problem
in the Modelfree4 binary for Intel Mac systems in that the number of
significant figures of the numbers in the mfout file are not treated
correctly, as described in the fix:

http://article.gmane.org/gmane.science.nmr.relax.scm/18350

This causes the numbers to be truncated compared to the Linux gcc and
pgf binaries, and is likely to be a FORTRAN portability issue.  The
relax test suite now detects the Intel Mac Modelfree4 results and for
now treats those as being correct, allowing the test suite to pass.
As this does not affect how relax operates I will wait until releasing
relax 3.0.1 with the test suite fix.  This version will also correctly
identify the GCC verses PGF Modelfree 4.20 results and handle those
minor differences too.

Cheers,

Edward



On 14 August 2013 15:43, Edward d'Auvergne <edward.dauvergne@xxxxxxxxx> wrote:
Hi Venkat,

Thank you for the information.  I have to ask a few more questions
though as I unfortunately cannot get this to run on my Mac test
system.  Are you using the Mac OS X gfortran from
http://r.research.att.com/tools/, MacPorts, HPC, or Fink?  I am using
the one from http://r.research.att.com/tools/, as this is the only one
that can compile the Python Scipy package.  Would you happen to know
the exact version, as GCC has renamed the old libgfortan.3.dylib file
to libgfortan.2.dylib in the current releases hence I might need to
hunt down an old version to make this run.  For the Linux systems, Art
Palmer's binaries are compiled only for i386 using both the old g77
and pgf fortran compilers (in the gnu/ and pgf/ directories
respectively).  I cannot run the pgf version as it segfaults (it was
compiled on Linux 2.2 and doesn't seem to run any more), but the g77
version compiled on Linux 2.6 runs fine.  Do you know which of these
two binaries you are running?  Are they self compiled or Art's
binaries?  The commands 'file' or 'ldd' followed by the modelfree4
binary will give some useful information.  On my system with the g77
binary, unfortunately I do not see the same problems as you do.  This
is a difficult problem because for every Modelfree4 binary variant
which gives a different result, I have to manually add the Modelfree4
results to the test.  Anyway, I really hope I can get down to the
bottom of this problem.

Cheers,

Edward



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