lack of swapspace
dikay at sun2.ruf.uni-freiburg.de
Wed Oct 18 04:01:47 EST 1995
I just generated and tested X-PLOR 3.1f in single precision for IRIX 5.3.
I used the SGI distribution and changed the FFT part from SGI-specific to
generic FFT (like for HP).
The .inp-files of the test directory show that most of the numerical results
are ok, compared to the ones obtained by double precision calculations.
SHAKE and some ROTMAT calculations have numerical problems, so this couldn't
be a production version. To use it is certainly an option for specific
calculations when memory is scarce, though.
Kay Diederichs (dikay at ruf.uni-freiburg.de and Kay.Diederichs at uni-konstanz.de)
Universitaet Freiburg, Institut fuer Biophysik, Albertstr. 23
D-79104 Freiburg, Germany Tel. +49/(0)761/2035391 FAX +49/(0)761/2035016
and: Universitaet Konstanz, Fakultaet fuer Biologie, Postfach 5560, M656
D-78434 Konstanz, Germany Tel. +49/(0)7531/884049 FAX +49/(0)7531/883183
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