Hi,
On Sat, 1 Apr 2006, David A. Case wrote:
> On Sat, Apr 01, 2006, Scott Brozell wrote:
>
> > I then did this
> > pgf90 -c -o dlamch.o _dlamch.f
> > According to the manual the default is -O1 -tp p7 in this situation.
> > All 9 previous hangers passed.
>
> To me it sounds as if putting -O1 in FFLAGS would do the trick for
> your platform. Is that what you think?
Yes.
Here's the test report.
22 possibly failing serial tests.
They all are insignificant.
21 are qmmm2 and 1 is jar.
It looks like the truncation could be increased on the qmmm2 and
would decrease the false positives.
I suppose I should move on to parallel ?
> > I know your position on distributing all dependencies, but
> > for COLUMBUS, I decided that all platforms will have a native
> > blas and lapack. This hasnt failed yet.
>
> What do you do for these platfoms?
>
> 1. PIV with G95 compiler
> 2. PIV with ifort compiler, etc.
>
> Do you require MKL? What happens on AMD chips? This all seems like a
pretty
> steep price to pay for Amber, especially since the performance
improvements
> are modest.
We support non-mkl, non-acml linux for g77(not compatible with all
programs), g95, ifort, and pgf90 using
LIBS=-llapack -lblas
So we assume they exist and can be found.
Admittedly, I have been surprised that blas and lapack seem to be
omnipresent:
(on a small lab, recently aquired machine)
uname -a
Linux zirconium 2.6.9-11.EL #1 Fri May 20 18:17:57 EDT 2005 i686 athlon
i386
locate liblapack.a
/usr/lib/liblapack.a
(on ~medium iron)
uname -a
Linux piv-login1 2.4.24-pre1 #6 SMP Wed May 19 09:47:10 EDT 2004 i686 i686
i386
locate liblapack.a
/usr/lib/liblapack.a
/usr/local/src/starp/1.8.0-rev2606/ia32_linux/lam/lib/liblapack.a
/usr/local/pgi-4.0.1/linux86/lib/liblapack.a
/usr/local/Fluent.Inc/fidap8.7.2/bin/lnx86/liblapack.a
/usr/local/lib/liblapack.a
/usr/local/pgi-4.0.2/linux86/lib/liblapack.a
/usr/local/PGI/6.0-8/linux86/6.0/lib/liblapack.a
/usr/local/NWChem/nwchem-4.0.1/lib/LINUX/liblapack.a
/usr/local/NWChem/nwchem-4.0.1-pgf77/lib/LINUX/liblapack.a
/usr/local/NWChem/nwchem-4.6/lib/LINUX/liblapack.a
/usr/local/ScaLAPACK/Linux_P4SSE2/lib/liblapack.a
/usr/local/atlas-3.4.1/lib/liblapack.a
/usr/local/intelmkl-5.1b/lib/liblapack.a
/usr/local/pgi-5.1.3/linux86/5.1/lib/liblapack.a
/usr/local/pgi-5.0.2/linux86/5.0/lib/liblapack.a
> ...thanks for all the testing...dave
You're welcome; I enjoy working in the Amber community.
Scott
Received on Wed Apr 05 2006 - 23:49:31 PDT
