Re: amber-developers: ifc8.0 is out

From: Scott Brozell <sbrozell.scripps.edu>
Date: Thu, 8 Jan 2004 14:24:07 -0700

Hi,

We have been using ifort, ie, ifc version 8, for a while.
As of today all the tests are passing. Below are benchmarks.

On a Intel(R) Xeon(TM) CPU 2.40GHz cache size : 512 KB

ifort Version 8.0 Build 20031016Z Package ID: l_fc_p_8.0.034
./configure -verbose -p4 -lmod ifort
dhfr | Total time 64.42 (100.0% of ALL )
fact_ix | Total time 280.51 (100.0% of ALL )
gb_alp | Total time 220.58 (100.0% of ALL )
cox2 | Total time 567.00 (100.0% of ALL )
gb_mb | Total time 52.84 (100.0% of ALL )
hb | Total time 579.25 (100.0% of ALL )
jac2 | Total time 57.97 (100.0% of ALL )
jac | Total time 805.85 (100.0% of ALL )
rt | Total time 1991.29 (100.0% of ALL )
trx | Total time 63.76 (100.0% of ALL )

ifc -V Version 7.0 Build 20021028Z
./configure -p4 -lmod ifc
dhfr | Total time 64.58 (100.0% of ALL )
fact_ix | Total time 278.04 (100.0% of ALL )
gb_alp | Total time 243.70 (100.0% of ALL )
cox2 | Total time 603.14 (100.0% of ALL )
gb_mb | Total time 62.75 (100.0% of ALL )
hb | Total time 587.31 (100.0% of ALL )
jac2 | Total time 59.14 (100.0% of ALL )
jac | Total time 827.99 (100.0% of ALL )
rt | Total time 1963.45 (100.0% of ALL )
trx | Total time 64.58 (100.0% of ALL )

This machine has
Linux loyd.scripps.edu 2.4.20-20.9smp #1 SMP Mon Aug 18 11:32:15 EDT 2003
i686 i686 i386 GNU/Linux
Red Hat Linux release 9 (Shrike)
and does not have MKL.

Note that the ifort sander was built on that machine; the ifc sander was
built on a Red Hat Linux release 7.3 (Valhalla) machine w/o MKL.

loyd.scripps.edu has an ifc Version 7.1 Build 20031122Z installed, but
sander built with it fails many tests.


The morals are ifort seems to be stable (but see the thread
AMBER: Intel Fortran Compiler 8.0 / pmemd 3.1 warning),
ifort may be slightly faster than ifc 7.0, and
make the test suite on any executables you build.

Scott

On Tue, 30 Dec 2003, Viktor Hornak wrote:

>
> yes, it should. I'll install ifc8 on tabasco and amber8 needs to be
> recompiled...
>
> -V.
>
> Carlos Simmerling wrote:
>
> >Viktor,
> >does this resolve our problem of not being able to run amber8 on our
xeons?
> >Carlos
> >
> >----- Original Message -----
> >From: "Viktor Hornak" <hornak.csb.sunysb.edu>
> >To: <amber-developers.scripps.edu>
> >Sent: Tuesday, December 30, 2003 8:44 AM
> >Subject: amber-developers: ifc8.0 is out
> >
> >
> >
> >
> >>I thought some people might want to know that Intel Fortran (and C++)
> >>compiler 8.0 for Linux is available on their site for download. This
is
> >>good news for those who use Linux environment for developing amber8,
> >>because this version finally works with more recent distributions,
such
> >>as Red Hat 8, 9. This will also avoid _a lot_ of trouble when amber8
> >>comes out, because many people would have linux distributions newer
> >>than RedHat 7.3 (which was the last one that worked with ifc7.1) and
> >>would not be able to compile amber8 with ifc7.1.
> >>I just thought this could be useful for some people...
> >>
> >>-Viktor
> >>--
> >>Viktor Hornak
> >>SUNY at Stony Brook
Received on Wed Apr 05 2006 - 23:50:05 PDT
Custom Search