Re: Fwd: Re: AMBER: $AMBERHOME on PATH & compilations

From: David A. Case <case.scripps.edu>
Date: Wed, 27 Jun 2007 10:06:38 -0700

On Wed, Jun 27, 2007, Francesco Pietra wrote:

> Setting of env variables is obviously correct as indicated below. I am here
> again for a double reason, first to ask if step 2c of readme on amber9 CD
> should really be carried out as indicated, i.e., compiling serially with g95.

The line there is an example, showing you how to compile with g95. Right
after that, the readme says (roughly) type "./configure --help" to see other
options.

> On that basis, would a correct command line for serial compilation be:
>
> ./configure F77=/opt/intel/fce/9.1.036/bin/ifort
> FC=opt/intel/fce/9.1.036/bin/ifort
>
> instead of using g95 or other fortran compiler?

No: Amber's configure script is not the same as that for other programs.
Please use the --help option of configure to see how to use it for other
compilers. Be sure to also follow the advice to "..examine (and edit) the
config.h file at this point.)

Don't be afraid to experiment! If you had actually tried what you suggest
above, you would have automatically gotten the "usage" information for
configure (since it would not have recognized your syntax). Then you would
not have had to send a question to the list.

...dac

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Received on Sun Jul 01 2007 - 06:07:10 PDT
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