Hi,
3 points below in order of importance.
1.
On Thu, Mar 10, 2016 at 12:03:37PM -0500, David A Case wrote:
> (There *is* a virtue in trying lots of compilers, since it can expose code
> bugs that are somehow hidden otherwise.)
This is by far the most important reason to port to and support many platforms.
Those seg faults that show up in non gnu builds are usually lurking bugs.
Yeah sure, some might be compiler bugs, etc.; gnu has bugs too, see bug 303.
2.
On Thu, Mar 10, 2016 at 10:48:45AM +0100, Gerald Monard wrote:
> Could there be a way to have (decide on?) a list of OS + compilers for
> which Amber _should_ compile correctly and all tests pass.
On a related point, what language standards are we supporting?
Are we supporting F2003 ? This comes up periodically and only seems to
get resolved in a de facto manner. It'd be nice to have discussions
on language standard and old compiler support at meetings; then just make
a decision through to the next release. See
Date: Thu, 21 May 2015 01:59:56 -0400
Subject: [AMBER-Developers] gnu versions; error compiling sander: 'is_iostat_end' does not exist
3.
On Thu, Mar 10, 2016 at 12:03:37PM -0500, David A Case wrote:
> On Thu, Mar 10, 2016, Gerald Monard wrote:
> > I've been there already, but there are so many different flavors:
> > - clang 3.5.1 + gcc 4.8.5, Gentoo Linux
> > - gcc 4.4.5, linux rhel 5.11
...
> > - pgi 15.4.0, linux rhel 6.7
>
> Mostly, the OS should not matter. I hope that any gnu compiler after 4.4
> should be fine...we'll know more soon. My experience with Intel compilers
> is that they have been much more variable (and buggy) from version to version.
> It would be of interest to hear (from Dan, others?) about what version of
> compilers are available at national sites.
As Dan reported for national sites, let me mention that non-national sites
also usually have lots of compilers and versions, but probably not a complete
tool chain for every compiler and version. In addition, we still (at OSC)
have lots of users running non gpu MD - not just for amber, also lammps,
gromacs etc. despite continued efforts from staff to get gpu utilization up.
scott
_______________________________________________
AMBER-Developers mailing list
AMBER-Developers.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber-developers
Received on Thu Mar 10 2016 - 10:30:05 PST
