AMBER Archive (2004)

Subject: Re: AMBER: amber 8 under windows XP

From: Adrian E. Roitberg (roitberg_at_qtp.ufl.edu)
Date: Thu May 27 2004 - 08:09:51 CDT

Dave,
Thanks for the answer.

Just to clarify, I need to run on a DOS shell under a windows machine.
This is for a grid computing environ our university is setting up. For
reasons beyond me, the are going to run this on unused machines, not as
'screensavers', but as DOS executables. So, I'll try today the
suggestions I got.
Thanks !
a.

David A. Case wrote:
> On Wed, May 26, 2004, Adrian E. Roitberg wrote:
>
>>For a particular application I need to compile amber8 under a windows XP
>>setting. I can do this in my own machine under cygwin and works fine
>>(with lahey's f90 compiler)
>>
>>Now, I need to take that compiled code and run it under DOS in a
>>different machine WITHOUT cygwin installed. This is supposedly doable.
>
>
> I'll add my comments to those of Ross Walker.
>
> As Ross suggested, it is best to work program by program. Programs like
> sander don't need anything from cygwin (if you define F90_TIMER in the
> config file), and so lahey will probably produce a cygwin-independent
> executable. Although I haven't used visual studio, I'm surprised that
> file endings have to be changed: look the free-format flag in config.h and
> see if that can't do what you need.
>
> ptraj and leap are probably the only programs that _really_ require cygwin,
> but it may take some fiddling to get the others to work.
>
> If you really want to run this on a _DOS_ machine (not MS Windows), none
> of these ideas will work. But I'm assuming for now that this is not what
> you want.
>
> ...dac
>
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-- 
                            Dr. Adrian E. Roitberg
                              Associate Professor
               Quantum Theory Project and Department of Chemistry

University of Florida                         PHONE 352 392-6972
P.O. Box 118435                               FAX   352 392-8722
Gainesville, FL 32611-8435                    Email adrian_at_qtp.ufl.edu
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