Sorry, in my last mail to the reflector (below) I forgot to state that the
new pmemd config info is found on the amber.scripps.edu website...
Regards - Bob
----- Original Message -----
From: "Robert Duke" <rduke.email.unc.edu>
To: <amber.scripps.edu>
Sent: Wednesday, May 11, 2005 11:14 AM
Subject: Re: AMBER: AMBER8 Build on Linux x64 running Opterons
> You may want to look at the 'March 2005 configuration update for PMEMD'.
> The config files for pmemd are different than the ones used by all the
> rest of amber, mostly in that more aggressive optimization is sometimes
> used. However, I think that for pathscale compilers, chances are good that
> the compilers options/libraries listed here will get you started (I think
> that pathscale is easy in that you don't need to reference the compiler
> libraries explicitly); you should of course leave out the pmemd
> optimization defines (-D...), though I doubt that including them is
> harmful. I found pathscale to be very easy to use and solid.
> Regards - Bob Duke
>
> ----- Original Message -----
> From: "Mark Rance" <rance.rabi.med.uc.edu>
> To: <amber.scripps.edu>
> Sent: Wednesday, May 11, 2005 11:02 AM
> Subject: Re: AMBER: AMBER8 Build on Linux x64 running Opterons
>
>
>>I encountered the same problem Thomas has reported, with xleap compiling
>> ok
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Received on Wed May 11 2005 - 16:53:01 PDT
