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Hello Martin-- > > I have just upgraded from XPLOR-NIH version 2.16 to 2.23. To my > surprise, my structure calculation (a modified sa.inp) runs > considerably slower using the new version: calculating 20 structures > takes 23 minutes with 2.16 but 37 minutes with 2.23. Could there be a > problem with my set-up of 2.23? > > I'm running XPLOR-NIH on a 2.33 GHz Intel Mac with OS 10.5.7. > Your results are a bit worse than mine, but the trend is the same- version 2.16 is faster than subsequent releases for Intel Macs. This is due to the fact that 2.16 was compiled using Intel compilers, while I used GNU compilers for the others. Binary speed should improve if I upgrade to more recent GNU compilers. best regards-- Charles -----BEGIN PGP SIGNATURE----- Version: GnuPG v1.4.9 (GNU/Linux) Comment: Processed by Mailcrypt 3.5.8+ <http://mailcrypt.sourceforge.net/> iEYEARECAAYFAko3tzcACgkQPK2zrJwS/lbxFwCcCeOsW4iyb2o9C5reiOwyaLRa yJ8An0RQZ81/vMc8MgJCp3lltXxD9nYB =TRth -----END PGP SIGNATURE-----
