[AMBER] Problem related to the Amber11 installation in user account

From: Sindrila Dutta banik <sindrila.duttabanik.yahoo.com>
Date: Tue, 9 Oct 2012 17:19:36 +0800 (SGT)

Yes, My system use ifort compiler for mpi. Is it possible to install the parallel version of Amber using this compiler?

I try it (./configure -mpi ifort) and it gives the following result:

Your AMBERHOME environment variable should be set to /home/sindrila/amber11
Warning: the X11 libraries are not in the usual location !
    To search for them try the command: locate libXt
    On new Fedora OS's install the libXt-devel libXext-devel
    libX11-devel libICE-devel libSM-devel packages.
    On old Fedora OS's install the xorg-x11-devel package.
    On RedHat OS's install the XFree86-devel package.
    On Ubuntu OS's install the xorg-dev package.
    For the moment Amber will be configured not to build XLEaP.
Error: Architecture/compiler ifort is not supported!
    Type './configure -help' for options.

Please let me know.


 From: Jason Swails <jason.swails.gmail.com>
To: Sindrila Dutta banik <sindrila.duttabanik.yahoo.com>; AMBER Mailing List <amber.ambermd.org>
Sent: Tuesday, 9 October 2012 2:33 PM
Subject: Re: [AMBER] Problem related to the Amber11 installation in user account

On Tue, Oct 9, 2012 at 10:25 AM, Sindrila Dutta banik <sindrila.duttabanik.yahoo.com> wrote:

I use gnu compiler. I also sending the config.h file.

What does:

mpif90 -show

return?  My guess is that it is going to show that you're using a different compiler (like ifort).  You have to make sure that the compilers used to build the MPI you're using are the *same* as the compilers you try to use for Amber itself.

Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
AMBER mailing list
Received on Tue Oct 09 2012 - 02:30:06 PDT
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