🚀 go-pugleaf

Steve Thompson) wrote:
|> My boss is trying to install the computational chemistry program CRYSTAL 92
|> on our SGI Power Challenge running IRIX 6.0.1.  We previously had the code
|> compiled and running on VAX/VMS 6.1.  Does anybody have any experience with
|> this code running in a UNIX environment?  Thanks in advance for any help you
|> can offer.
|> 
|>   
Steve,
   seems a bit of an odd question really - if you have a copy of the manual,
there is a list of UNIX machines that it runs on. I have had no problems
compiling on HPUX, IRIX, and even under Linux. If you are interested in how
well it compiles on the R8000, I think I just compiled using f77 -O3 -mips4 -64
which passed all the test cases.
I tried with some of the hairier compiler options (ropy maths) and the speedup
was not worth it. Changing mxmb had the most effect, but again, nothing
dramatic. If you have any more questions, feel free to email me.

Hope this helps,

Steve Greatbanks

ps - not sure quite how relevant this is in bionet.molec-model.
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