Thank you Rai and Dan!
On Wed, Mar 23, 2016 at 11:33 AM, Daniel Roe <daniel.r.roe.gmail.com> wrote:
> The version checks seem to work fine for me (caveat: only tested with
> Intel 14, Intel 12, and GNU 5). If no one has objections I will cherry
> pick this change over to master.
>
> -Dan
>
> On Wed, Mar 23, 2016 at 7:41 AM, Rai Nitin <rai.nitin.tcs.com> wrote:
> > The configure script has been modified in the intel branch to address the
> > issues:
> >
> > 1. Intel specific optimization flags are enabled only for Intel compilers
> > version 13 to 16.
> > 2. OpenMP in Amber build is enabled only for GNU compiler version 4.2 and
> > above.
> > 3. OpenMP in Amber build is enabled only for Intel compiler version 10.2
> > and above.
> >
> > In case this works fine, these changes can be merged into master branch.
> >
> > Thanks,
> > Nitin Rai
> >
> >
> >
> > From: Daniel Roe <daniel.r.roe.gmail.com>
> > To: AMBER Developers Mailing List <amber-developers.ambermd.org>
> > Date: 23-03-2016 08:53
> > Subject: [AMBER-Developers] Intel compiler optimizations for Intel
> > MPI not working for older versions
> >
> >
> >
> > Hi,
> >
> > I've been debugging a build of Amber with an older version of Intel
> > compilers with Intel MPI (icc 12.0.0, impi 4.0.1). While building
> > pmemd I hit this error:
> >
> > ifort: command line error: Unrecognized keyword 'array64byte' for
> > option '-align'
> >
> > It seems this flag is a relatively recent introduction (hash ID
> > 7b191fe02, Jan. of this year) and only gets added when intel
> > compilers are used with intel MPI. If I comment out this section of
> > configure2 (between lines 1481 and 1489) the compilation finishes
> > successfully. After some more testing the problematic flags seem to be
> > '-opt-streaming-cache-evict=0' as well as '-align array64byte'; the
> > former causes object files to not be generated by mpiifort.
> >
> > Based on when these flags were added it seems their addition to
> > configure2 is related to the experimental intel MPI/OpenMP code. Do we
> > really need these flags for that or will it build without? If the
> > flags are necessary, maybe some sort of test should be introduced to
> > make sure the underlying compilers support them, or they are only on
> > when the MPI/OpenMP build is?
> >
> > -Dan
> >
> > --
> > -------------------------
> > Daniel R. Roe, PhD
> > Department of Medicinal Chemistry
> > University of Utah
> > 30 South 2000 East, Room 307
> > Salt Lake City, UT 84112-5820
> > http://home.chpc.utah.edu/~cheatham/
> > (801) 587-9652
> > (801) 585-6208 (Fax)
> >
> > _______________________________________________
> > AMBER-Developers mailing list
> > AMBER-Developers.ambermd.org
> > http://lists.ambermd.org/mailman/listinfo/amber-developers
> >
> > =====-----=====-----=====
> > Notice: The information contained in this e-mail
> > message and/or attachments to it may contain
> > confidential or privileged information. If you are
> > not the intended recipient, any dissemination, use,
> > review, distribution, printing or copying of the
> > information contained in this e-mail message
> > and/or attachments to it are strictly prohibited. If
> > you have received this communication in error,
> > please notify us by reply e-mail or telephone and
> > immediately and permanently delete the message
> > and any attachments. Thank you
> >
> >
> > _______________________________________________
> > AMBER-Developers mailing list
> > AMBER-Developers.ambermd.org
> > http://lists.ambermd.org/mailman/listinfo/amber-developers
>
>
>
> --
> -------------------------
> Daniel R. Roe, PhD
> Department of Medicinal Chemistry
> University of Utah
> 30 South 2000 East, Room 307
> Salt Lake City, UT 84112-5820
> http://home.chpc.utah.edu/~cheatham/
> (801) 587-9652
> (801) 585-6208 (Fax)
>
> _______________________________________________
> AMBER-Developers mailing list
> AMBER-Developers.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber-developers
>
--
_______________________________________________
Brent P. Krueger.....................phone: 616 395 7629
Professor.................................fax: 616 395 7118
Hope College..........................Schaap Hall 2120
Department of Chemistry
Holland, MI 49423
_______________________________________________
AMBER-Developers mailing list
AMBER-Developers.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber-developers
Received on Wed Mar 23 2016 - 09:00:05 PDT
