> 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
I believe I could download evaluation versions of Intel C++ and Fortran compilers from the Intel website. Do you think it would be a good idea for me to try and compile XPLOR using those? Otherwise I'll continue using 2.16 for the time being. Cheers, Martin Allan
