Re: [ccp4bb]: scala error

[Michael Strickler <michael@mail.csb.yale.edu>]

***  For details on how to be removed from this list visit the  ***
***          CCP4 home page http://www.ccp4.ac.uk         ***

> I am trying to scale my data using scala.  The data was processed 
> using XDS and then converted to mtz format.  However, scala gives the
>  error "Error in refscl/dsyev".

This looks like feedback from the LAPACK linear algebra routines.  You 
don't say what type of computer you are running on, but we have
encountered this from time to time on our Linux PCs.  Adding some
additional debugging lines allowed us to determine that in our case
there was a convergence error in attempting to diagonalize a matrix in
LAPACK.

Our "solution" so far has been to run on one of our Alpha machines when 
this error occurs.  This suggests to my addled brain that the difference 
between a 32-bit and a 64-bit architecture is responsible.  Perhaps a 
64-bit SGI that uses 64-bit LAPACK libraries would also successfully 
converge; for instance, compiling CCP4 for irix64 and building the 
included LAPACK/BLAS support, or using 64-bit versions of the SCSL 
libraries from SGI.

Regards,
-- 
Michael Strickler, Ph.D.
Research Specialist
Center for Structural Biology
Yale University
260 Whitney Ave, 355C JWG
PO Box 208114
New Haven, CT 06520-8114