<div style="FONT-FAMILY: arial; COLOR: black; FONT-SIZE: 10pt"><FONT color=black face=arial></FONT><SPAN style="DISPLAY: inline-block" contentEditable=false></SPAN>It seems to me that the mkl libraries were not found. From my experience, something like</div>
<div style="FONT-FAMILY: arial; COLOR: black; FONT-SIZE: 10pt"> </div>
<div style="FONT-FAMILY: arial; COLOR: black; FONT-SIZE: 10pt">"BLAS_LIBS = -L/opt/intel/mkl/9.0/lib/em64t -lmkl_em64t" </div>
<div style="FONT-FAMILY: arial; COLOR: black; FONT-SIZE: 10pt">and</div>
<div style="FONT-FAMILY: arial; COLOR: black; FONT-SIZE: 10pt">LAPACK_LIBS = -lmkl_lapack -L/opt/intel/mkl/9.0/lib/em64t -lmkl_em64t</div>
<div style="FONT-FAMILY: arial; COLOR: black; FONT-SIZE: 10pt"> </div>
<div style="FONT-FAMILY: arial; COLOR: black; FONT-SIZE: 10pt">should be written on the make.sys. In your case, the code is not using the mkl math optimization libraries. So that is why it is slow, since these libraries make a considerable difference. I would try this:</div>
<div style="FONT-FAMILY: arial; COLOR: black; FONT-SIZE: 10pt"> </div>
<div style="FONT-FAMILY: arial; COLOR: black; FONT-SIZE: 10pt">> ./configure LIBDIRS="/home/fabionr/intel/mkl/10.x.x.xxx/lib/em64t /home/fabionr/intel/mkl/10.x.x.xxx/lib/em64t"</div>
<div style="FONT-FAMILY: arial; COLOR: black; FONT-SIZE: 10pt">replacing the x with the mkl version you have.</div>
<div style="FONT-FAMILY: arial; COLOR: black; FONT-SIZE: 10pt"> </div>
<div style="FONT-FAMILY: arial; COLOR: black; FONT-SIZE: 10pt">I hope it helps, </div>
<div style="FONT-FAMILY: arial; COLOR: black; FONT-SIZE: 10pt"> </div>
<div style="FONT-FAMILY: arial; COLOR: black; FONT-SIZE: 10pt">Fabio Negreiros Ribeiro</div>
<div style="FONT-FAMILY: arial; COLOR: black; FONT-SIZE: 10pt">Departamento de Física, Universidade Federal de Minas Gerais, MG, Brazil</div>
<div><br>
</div>
<div><br>
</div>
-----Original Message-----<br>
From: mohsen modaresi <modaresi.mohsen@gmail.com><br>
To: PWSCF Forum <pw_forum@pwscf.org><br>
Sent: Wed, May 12, 2010 4:40 pm<br>
Subject: Re: [Pw_forum] Low speed<br>
<br>
<div id=AOLMsgPart_3_f0a235b9-e6c0-4b78-8091-239af6f13efd>Excuse me this is make.sys<br>
<br>
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<div style="TEXT-ALIGN: left" dir=rtl class=MsoPlainText align=right><SPAN style="FONT-FAMILY: " dir=ltr># make.sys.<SPAN> </SPAN>Generated from <A href="http://make.sys.in/" target=_blank>make.sys.in</A> by configure.<br>
<br>
# compilation rules<br>
<br>
.SUFFIXES :<br>
.SUFFIXES : .o .c .f .f90<br>
<br>
# most fortran compilers can directly preprocess c-like directives: use<br>
# <SPAN> </SPAN>$(MPIF90) $(F90FLAGS) -c $<<br>
# if explicit preprocessing by the C preprocessor is needed, use:<br>
# <SPAN> </SPAN>$(CPP) $(CPPFLAGS) $< -o $*.F90 <br>
#<SPAN> </SPAN>$(MPIF90) $(F90FLAGS) -c $*.F90 -o $*.o<br>
# remember the tabulator in the first column !!!<br>
<br>
.f90.o:<br>
<SPAN> </SPAN>$(MPIF90) $(F90FLAGS) -c $<<br>
<br>
# .f.o and .c.o: do not modify<br>
<br>
.f.o:<br>
<SPAN> </SPAN>$(F77) $(FFLAGS) -c $<<br>
<br>
.c.o:<br>
<SPAN> </SPAN>$(CC) $(CFLAGS)<SPAN> </SPAN>-c $<<br>
<br>
<br>
# DFLAGS<SPAN> </SPAN>= precompilation options (possible arguments to -D and -U)<br>
#<SPAN> </SPAN>used by the C compiler and preprocessor<br>
# FDFLAGS = as DFLAGS, for the f90 compiler<br>
# See include/defs.h.README for a list of options and their meaning<br>
# With the exception of IBM xlf, FDFLAGS = $(DFLAGS)<br>
# For IBM xlf, FDFLAGS is the same as DFLAGS with separating commas <br>
<br>
DFLAGS<SPAN> </SPAN>=<SPAN> </SPAN>-D__GFORTRAN -D__FFTW -D__MPI -D__PARA<br>
FDFLAGS<SPAN> </SPAN>= $(DFLAGS)<br>
<br>
# IFLAGS = how to locate directories where files to be included are<br>
# In most cases, IFLAGS = -I../include<br>
<br>
IFLAGS<SPAN> </SPAN>= -I../include<br>
<br>
# MODFLAGS = flag used by f90 compiler to locate modules<br>
# You need to search for modules in ./, in ../iotk/src, in ../Modules<br>
# Some applications also need modules in ../PW and ../PH<br>
<br>
MODFLAGS<SPAN> </SPAN>= -I./<SPAN> </SPAN>-I../Modules<SPAN> </SPAN>-I../iotk/src <br>
<SPAN> </SPAN>-I../PW<SPAN> </SPAN>-I../PH<SPAN> </SPAN>-I../EE -I../GIPAW<br>
<br>
# Compilers: fortran-90, fortran-77, C<br>
# If a parallel compilation is desired, MPIF90 should be a fortran-90 <br>
# compiler that produces executables for parallel execution using MPI<br>
# (such as for instance mpif90, mpf90, mpxlf90,...);<br>
# otherwise, an ordinary fortran-90 compiler (f90, g95, xlf90, ifort,...)<br>
# If you have a parallel machine but no suitable candidate for MPIF90,<br>
# try to specify the directory containing "mpif.h" in IFLAGS<br>
# and to specify the location of MPI libraries in MPI_LIBS<br>
<br>
MPIF90<SPAN> </SPAN>= mpif90<br>
#F90<SPAN> </SPAN>= gfortran<br>
CC<SPAN> </SPAN>= cc<br>
F77<SPAN> </SPAN>= gfortran<br>
<br>
# C preprocessor and preprocessing flags - for explicit preprocessing, <br>
# if needed (see the compilation rules above)<br>
# preprocessing flags must include DFLAGS and IFLAGS<br>
<br>
CPP<SPAN> </SPAN>= cpp<br>
CPPFLAGS<SPAN> </SPAN>= -P -traditional $(DFLAGS) $(IFLAGS)<br>
<br>
# compiler flags: C, F90, F77<br>
# C flags must include DFLAGS and IFLAGS<br>
# F90 flags must include MODFLAGS, IFLAGS, and FDFLAGS with appropriate syntax<br>
<br>
CFLAGS<SPAN> </SPAN>= -O3 $(DFLAGS) $(IFLAGS)<br>
F90FLAGS<SPAN> </SPAN>= $(FFLAGS) -x f95-cpp-input $(FDFLAGS) $(IFLAGS) $(MODFLAGS)<br>
FFLAGS<SPAN> </SPAN>= -O3<br>
<br>
# compiler flags without optimization for fortran-77<br>
# the latter is NEEDED to properly compile dlamch.f, used by lapack<br>
<br>
FFLAGS_NOOPT<SPAN> </SPAN>= -O0<br>
<br>
# Linker, linker-specific flags (if any)<br>
# Typically LD coincides with F90 or MPIF90, LD_LIBS is empty<br>
<br>
LD<SPAN> </SPAN>= mpif90<br>
LDFLAGS<SPAN> </SPAN>= <br>
LD_LIBS<SPAN> </SPAN>=<br>
<br>
# External Libraries (if any) : blas, lapack, fft, MPI<br>
<br>
# If you have nothing better, use the local copy : ../flib/blas.a<br>
<br>
BLAS_LIBS<SPAN> </SPAN>= ../flib/blas.a<br>
<br>
# The following lapack libraries will be available in flib/ :<br>
# ../flib/lapack.a : contains all needed routines<br>
# ../flib/lapack_atlas.a: only routines not present in the Atlas library<br>
# For IBM machines with essl (-D__ESSL): load essl BEFORE lapack !<br>
# remember that LAPACK_LIBS precedes BLAS_LIBS in loading order<br>
<br>
LAPACK_LIBS<SPAN> </SPAN>= ../flib/lapack.a<br>
<br>
# nothing needed here if the the internal copy of FFTW is compiled<br>
# (needs -D__FFTW in DFLAGS)<br>
<br>
FFT_LIBS<SPAN> </SPAN>= <br>
<br>
# For parallel execution, the correct path to MPI libraries must<br>
# be specified in MPI_LIBS (except for IBM if you use mpxlf)<br>
<br>
MPI_LIBS<SPAN> </SPAN>= <br>
<br>
# IBM-specific: MASS libraries, if available and if -D__MASS is defined in FDFLAGS<br>
<br>
MASS_LIBS<SPAN> </SPAN>= <br>
<br>
# pgplot libraries (used by some post-processing tools)<br>
<br>
PGPLOT_LIBS<SPAN> </SPAN>= <br>
<br>
# ar command and flags - for most architectures: AR = ar, ARFLAGS = ruv<br>
# ARFLAGS_DYNAMIC is used in iotk to produce a dynamical library,<br>
# for Mac OS-X with PowerPC and xlf compiler. In all other cases<br>
# ARFLAGS_DYNAMIC = $(ARFLAGS)<br>
<br>
AR<SPAN> </SPAN>= ar<br>
ARFLAGS<SPAN> </SPAN>= ruv<br>
ARFLAGS_DYNAMIC= ruv<br>
<br>
# ranlib command. If ranlib is not needed (it isn't in most cases) use<br>
# RANLIB = echo<br>
<br>
RANLIB<SPAN> </SPAN>= ranlib<br>
<br>
# all internal and external libraries - do not modify<br>
<br>
LIBOBJS<SPAN> </SPAN>= ../flib/ptools.a ../flib/flib.a ../clib/clib.a ../iotk/src/libiotk.a ../Multigrid/mglib.a<br>
LIBS<SPAN> </SPAN>= $(LAPACK_LIBS) $(BLAS_LIBS) $(FFT_LIBS) $(MPI_LIBS) $(MASS_LIBS) $(PGPLOT_LIBS) $(LD_LIBS)<br>
<br>
</SPAN></div>
<br>
</div>
<div style="BACKGROUND-COLOR: #fff; MARGIN: 0px; FONT-FAMILY: Tahoma, Verdana, Arial, Sans-Serif; COLOR: #000; FONT-SIZE: 12px" id=AOLMsgPart_4_f0a235b9-e6c0-4b78-8091-239af6f13efd><PRE style="FONT-SIZE: 9pt"><TT>_______________________________________________ Pw_forum mailing list <A href="mailto:Pw_forum@pwscf.org">Pw_forum@pwscf.org</A> <A href="http://www.democritos.it/mailman/listinfo/pw_forum" target=_blank>http://www.democritos.it/mailman/listinfo/pw_forum</A> </TT></PRE></div>