AMBER Archive (2006)

Subject: Re: AMBER: pmemd installation on linux_p3_athlon ifort

From: Robert Duke (rduke_at_email.unc.edu)
Date: Tue Oct 24 2006 - 12:08:58 CDT

Okay, pardon me if this is a simplistic analysis. After you do the source
ifortvars.csh, if you do a "which ifort", do you find the compiler? The
only thing that comes immediately to mind here is that perhaps use have csh
and sh mixed up, and need to source the other file. It is also possible,
but unlikely, that your ifort is incompatible due to age, but I use 8.1 with
amber 9 all the time, and expect I also was using 8 when the config stuff
was developed (I think 7 used the name ifc and some different conventions).
I always source the .csh file in my .login or the .sh file in .profile
(which may be .bash_profile); that way I am sure to get the correct
path/environment variables in all processes.
Regards - Bob Duke

----- Original Message -----
From: <gtg549i_at_mail.gatech.edu>
To: <amber_at_scripps.edu>
Sent: Tuesday, October 24, 2006 12:20 PM
Subject: AMBER: pmemd installation on linux_p3_athlon ifort

> Dear Amber,
>
> I tried to install pmemd on my machine. The configuration failed and ask
> me to
> source ifortvars.sh, i did it and got the same error:
>
> :/usr/local/amber9/src/pmemd # ./configure linux_p3_athlon ifort nopar
> The configure utility REQUIRES that ifort be found!
> Please source ifortvars.sh (for sh) or ifortvars.csh (for csh).
> PMEMD Configuration Failed!
>
> :/usr/local/amber9/src/pmemd # source /opt/intel_fc_80/bin/ifortvars.sh
>
> :/usr/local/amber9/src/pmemd # ./configure linux_p3_athlon ifort nopar
> The configure utility REQUIRES that ifort be found!
> Please source ifortvars.sh (for sh) or ifortvars.csh (for csh).
> PMEMD Configuration Failed!
>
> Any suggestion? Thanks in advance
>
> Shuting
>
> --
>
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