[Pw_forum] Re: ask your help!
Yingwen Song
song at cello.t.u-tokyo.ac.jp
Wed Oct 27 03:18:33 CEST 2004
Dear Matteo:
I am Yingwen @ The University of Tokyo.
Thanks a lot for your information. Actually, I am interested in
performance instead of physics.
Best wishes.
Yingwen
>
> Dear Yingwen and Aijun
>
> I've been making some tests on an opteron machines with the CP code contained
> in
> the Espresso package (last release) and found your make.sys very useful to
> improve the one I had. Thank you.
>
> I also found out that with pgi compiler, instead of using acml it is more
> convenient to use pgi lapack and goto blas which you can download for free from
> the web. I have attached my make.sys to this message.
>
> It's only a small modification to yours (see "LIBS =" part) but the code could
> run much faster
> (20-25%).
>
> I hope this can help.
>
> Matteo
>
>
> Quoting Yingwen Song <song at cello.t.u-tokyo.ac.jp>:
>
> > Hi, Aijun
> >
> > I am Yingwen Song @ The University of Tokyo. The following are the
> > contents of make.sys. Remember to change IFLAGS and LIBS as I told you
> > before.
> >
> > Wish you good luck.
> >
> >
> > Yingwen
> >
> > --------------------make.sys START------------------------------
> > # make.sys. Generated from make.sys.in by configure.
> > CC = pgcc
> > CCFLAGS = -O3 -tp k8-64 -fast -Munroll -Mvect=sse
> > -Mvect=assoc,cachesize:1048576 -Mcache_align -Kieee -Mvect=prefetch $(DFLAGS)
> > $(IFLAGS)
> > # See include/defs.h.README for a list of precompilation options
> > # (possible arguments to -D or -U) and their meaning
> > DFLAGS = -D__LINUX64 -D__PGI -D__PARA -D__MPI -D__FFTW
> > -D__USE_INTERNAL_FFTW
> > IFLAGS = -I. -I../include -I../Modules -I../PW -I../PH
> > -I/opt/mpich-1.2.5/include
> > CPP = cpp
> > CPPFLAGS = -P -traditional $(DFLAGS) $(IFLAGS)
> > F77 = pgf77
> > F90 = pgf90
> > FFLAGS = -fast -r8 -O3 -tp k8-64 -Munroll -Mvect=sse
> > -Mvect=assoc,cachesize:1048576 -Mcache_align -Kieee -Mvect=prefetch
> > F77FLAGS = $(FFLAGS) $(IFLAGS)
> > F90FLAGS = $(FFLAGS) $(DFLAGS) $(IFLAGS)
> > F77FLAGS_NOOPT = -O0
> > LD = pgf90
> > LDFLAGS = $(LIBOBJS) $(LIBS)
> > LIBOBJS = ../flib/ptools.a ../flib/flib.a ../clib/clib.a
> > # LIBS must contain the location of all needed external libraries
> > LIBS = -lacml -L/opt/mpich-1.2.5/lib -lfmpich -lmpich
> > #LIBS = -llapack -lblas
> > # MYLIB can be one of the following (depending on LIBS):
> > # blas : compile the local copy of blas routines
> > # lapack : compile the local copy of lapack routines
> > # blas_and_lapack : all of the above - use this for a quick test
> > # or if you don't have an optimized blas/lapack library
> > # lapack_ibm : compile only lapack routines not present in IBM ESSL
> > # use this together with IBM ESSL
> > # lapack_t3e : compile only lapack routines not present in T3E scilib
> > # use this together with T3E scilib
> > # lapack_mkl : compile only lapack routines not present in Intel MKL
> > # use this together with Intel MKL
> > MYLIB =
> > AR = ar
> > ARFLAGS = ruv
> > --------------------make.sys END------------------------------
> >
> > > Hello Yingwen,
> > >
> > > Thanks for your timely reply.
> > >
> > > I am sorry I couldn't receive the attachment successfully. If possible
> > could
> > > you please send to me as mail content or alternative to
> > aijun_du at hotmail.com
> > > ?
> > >
> > > Many thanks,
> > > Aijun
> > > ----- Original Message -----
> > > From: "Yingwen Song" <song at cello.t.u-tokyo.ac.jp>
> > > To: "Aijun Du" <a.du at uq.edu.au>
> > > Cc: <pw_forum at pwscf.org>
> > > Sent: Friday, October 22, 2004 5:11 PM
> > > Subject: Re: ask your help!
> > >
> > >
> > > > WARNING: This e-mail has been altered by mail systems at
> > > > Information Technology Services at The University of Queensland
> > > > (www.its.uq.edu.au)
> > > > Following this paragraph are indications of the actual
> > > > changes made.
> > > >
> > > > A file named
> > > >
> > > > make.sys
> > > >
> > > > was removed from this email as it constituted a security hazard.
> > > >
> > > > It may be a virus. If you require this file, please contact
> > > > the sender and arrange an alternate means of receiving it.
> > > > For example ask the sender to resend it within
> > > > a non self-extracting archive.
> > > >
> > > > More information can be found at:
> > > >
> > > > http://www.uq.edu.au/uqnet/virus.html
> > > >
> > > >
> > >
> > >
> > >
> >
> --------------------------------------------------------------------------------
> > >
> > >
> > > > Hi, Aijun
> > > >
> > > > I am Yingwen Song @ The University of Tokyo. The MPI version of make.sys
> > > > is attached. I am using MPICH 1.2.5. Please modify
> > > > "-I/opt/mpich-1.2.5/include"
> > > > in IFLAGS and
> > > > "-L/opt/mpich-1.2.5/lib"
> > > > in LIBS
> > > >
> > > > to point to your own MPI path.
> > > >
> > > > Good luck.
> > > >
> > > >
> > > >> Dear Dr. Song,
> > > >>
> > > >> I am working in the University of Queensland and also using pwscf for my
> >
> > > >> research work. I find your email address from PWSCF email list. I knew
> > > >> you have succeeded in compiling and running PWSCF on AMD opetron64 using
> >
> > > >> pgf90. Have you tried MPI version? Could you send me the Make.sys(MPI)
> > to
> > > >> me?
> > > >>
> > > >> I have compiled pwscf on my new AMD opteron64 machine. My test on a big
> >
> > > >> system met some problems and stopped. But for small system it is okay.
> > > >>
> > > >> Many thanks,
> > > >> Regards,
> > > >> Aijun
> > > >
> > > > --------------------------
> > > > Yingwen Song, Ph.D.
> > > > The University of Tokyo
> > > > Email:song at cello.t.u-tokyo.ac.jp
> > > > Homepage:http://cello.t.u-tokyo.ac.jp/~song/
> > > > Tel/Fax: 03-5841-1286
> > > >
> > > >
> >
> > --------------------------
> > Yingwen Song, Ph.D.
> > The University of Tokyo
> > Email:song at cello.t.u-tokyo.ac.jp
> > Homepage:http://cello.t.u-tokyo.ac.jp/~song/
> > Tel/Fax: 03-5841-1286
> >
> >
> > _______________________________________________
> > Pw_forum mailing list
> > Pw_forum at pwscf.org
> > http://www.democritos.it/mailman/listinfo/pw_forum
> >
>
>
>
--------------------------
Yingwen Song, Ph.D.
The University of Tokyo
Email:song at cello.t.u-tokyo.ac.jp
Homepage:http://cello.t.u-tokyo.ac.jp/~song/
Tel/Fax: 03-5841-1286
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