RE: [AMBER-Developers] configure script for pgi and gcc+g95/gcc+ifort issues

From: <>
Date: Sun, 15 Nov 2009 10:46:23 -0500

Our lab prefers gcc+ifort. In our testing, we actually got better
performance from gcc/g++ than icc for a number of our lab's other software
applications, so we saw no need to get icc. However, AMBER runs faster with
ifort on our hardware, so that made sense for us to use over gfortran. If
this pairing is all that unusual, I suppose I can keep hacking the script to
suit us, but there's at least someone out there who appreciates the
gcc+ifort combo.

--Matt Seetin

-----Original Message-----
[] On Behalf Of Mengjuei Hsieh
Sent: Friday, November 13, 2009 6:24 PM
To: AMBER Developers Mailing List
Subject: [AMBER-Developers] configure script for pgi and gcc+g95/gcc+ifort


I do agree that extra compiler combinations are overkill, so I again
removed the options for gcc+g95 and gcc+ifort. Besides, there is not
so many counter arguments, either. At the same time, I checked-in a
change that fixes a problem of netcdf that coughs up errors on pgi
compiler. Just adding -DpgiFortran to the CPPFLAGS will do the trick.

Mengjuei Hsieh
On Tue, Nov 10, 2009 at 03:13:25PM -0500, case wrote:
> Mengjuei wrote:
> > I just checked-in the modification for configure script:
> >     1. Added support for combination of gcc + ifort
> >     2. Added support for combination of gcc + g95
> Aargh!  Do we really need items 1 or 2?  For item 1, are there really
> people who have ifort but not icc? Or some other reason for wanting this?
> As for 2, does g95 have an advantage over gfortran?
> The reason for restricting the number of platforms (and compiler
> we support is to reduce the chance of corner cases of incompatibility.
> it makes life a little easier for develops if "gnu" or "intel" are the
> platforms -- I can commit a change without having to go find a g95
compiler to
> make sure it works there as well.
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