[CPMD-list] Itanium SGI

[Kozin, I (Igor)]

Eliana,
try using -O3. Updating to ifort 8.1 is also a good idea.

Altix/1500, cpmd-test/std/wat32 run1:
n=4	T=431 sec
n=8	T=196
n=16	T=82
n=32	T=46

Regards,
Igor

I. Kozin
CCLRC Daresbury Laboratory
http://www.cse.clrc.ac.uk/disco

> -----Original Message-----
> From: Eliana K Asciutto [mailto:ekasciut at unity.ncsu.edu]
> Sent: 02 November 2004 15:30
> To: CPMD-list at cpmd.org
> Subject: [CPMD-list] Itanium SGI
> 
> 
> Dear all,
> 
> I've compiled succesfully CPMD 3.9 in a SGI Itanium cluster.
> The problem is that it is very slow (compared with an Intel Xeon 
> cluster). Perhaps I'm missing some compilation's option  in order to 
> speed it up.
> Here is my Makefile:
> 
> 
> 
> #--------------- Default Configuration for SGI_LINUX_IA64_INTEL-MPI 
> ---------------
> SRC  = .
> DEST = .
> BIN  = .
> #QMMM_FLAGS = -D__QMECHCOUPL
> #QMMM_LIBS  = -L. -lmm
> FFLAGS = -fpp -D__alpha -DPOINTER8 -DLAPACK -DFFT_DEFAULT 
> -DALPHALINUX \
>         -DPARALLEL=parallel -DMP_LIBRARY=__MPI -DLINUX_IA64_INTEL \
>         $(shell date +'-D__DATE__=\""%b %e %Y"\" -D__TIME__=\"%T\"')
> LFLAGS = -L/opt/intel/mkl70/lib/64 -lmkl_itp -lmkl_lapack -lmkl_itp \
>              -lPEPCF90 -lm -lpthread -lmpi $(QMMM_LIBS)
> CFLAGS = -DPGSIZE="getpagesize()" -D__alpha -DPOINTER8 -DLAPACK 
> -DFFT_DEFAULT -DALPHALINUX \
>         -DPARALLEL=parallel -DMP_LIBRARY=__MPI -DLINUX_IA64_INTEL
> CPP = /bin/cp --remove-destination
> CPPFLAGS =
> NOOPT_FLAG =
> CC = gcc -O2 -c -Wall
> FC = efc -O2 -w -w90 -w95 -cm -c
> LD = efc -O2
> AR = /usr/bin/ar -r
> 
>  
> Any suggestions?
> Thanks,
> 
> Eliana
> 
> 
> -- 
> Eliana K Asciutto
> North Carolina State University
> Deparment of Physics
> 127 Stinson Drive, 308 Cox Hall
> Raleigh, NC, 27695-8202
> Tel:(919)513-0317
> 
> 
> 
>  
> 
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