It seems to me that the mkl libraries were not found. From my experience, something like ? "BLAS_LIBS????? = -L/opt/intel/mkl/9.0/lib/em64t -lmkl_em64t" and LAPACK_LIBS??? = -lmkl_lapack? -L/opt/intel/mkl/9.0/lib/em64t -lmkl_em64t ? 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: ? > ./configure LIBDIRS="/home/fabionr/intel/mkl/10.x.x.xxx/lib/em64t /home/fabionr/intel/mkl/10.x.x.xxx/lib/em64t" replacing the x with the mkl version you have. ? I hope it helps, ? Fabio Negreiros Ribeiro Departamento de F?sica, Universidade Federal de Minas Gerais, MG, Brazil
-----Original Message----- From: mohsen modaresi <[email protected]> To: PWSCF Forum <pw_forum at pwscf.org> Sent: Wed, May 12, 2010 4:40 pm Subject: Re: [Pw_forum] Low speed Excuse me this is make.sys # make.sys.? Generated from make.sys.in by configure. # compilation rules .SUFFIXES : .SUFFIXES : .o .c .f .f90 # most fortran compilers can directly preprocess c-like directives: use # ??? $(MPIF90) $(F90FLAGS) -c $< # if explicit preprocessing by the C preprocessor is needed, use: # ??? $(CPP) $(CPPFLAGS) $< -o $*.F90 #???? $(MPIF90) $(F90FLAGS) -c $*.F90 -o $*.o # remember the tabulator in the first column !!! .f90.o: ????? $(MPIF90) $(F90FLAGS) -c $< # .f.o and .c.o: do not modify .f.o: ????? $(F77) $(FFLAGS) -c $< .c.o: ????? $(CC) $(CFLAGS)? -c $< # DFLAGS? = precompilation options (possible arguments to -D and -U) #?????????? used by the C compiler and preprocessor # FDFLAGS = as DFLAGS, for the f90 compiler # See include/defs.h.README for a list of options and their meaning # With the exception of IBM xlf, FDFLAGS = $(DFLAGS) # For IBM xlf, FDFLAGS is the same as DFLAGS with separating commas DFLAGS???????? =? -D__GFORTRAN -D__FFTW -D__MPI -D__PARA FDFLAGS??????? = $(DFLAGS) # IFLAGS = how to locate directories where files to be included are # In most cases, IFLAGS = -I../include IFLAGS???????? = -I../include # MODFLAGS = flag used by f90 compiler to locate modules # You need to search for modules in ./, in ../iotk/src, in ../Modules # Some applications also need modules in ../PW and ../PH MODFLAGS?????? = -I./? -I../Modules? -I../iotk/src ???????????????? -I../PW? -I../PH? -I../EE -I../GIPAW # Compilers: fortran-90, fortran-77, C # If a parallel compilation is desired, MPIF90 should be a fortran-90 # compiler that produces executables for parallel execution using MPI # (such as for instance mpif90, mpf90, mpxlf90,...); # otherwise, an ordinary fortran-90 compiler (f90, g95, xlf90, ifort,...) # If you have a parallel machine but no suitable candidate for MPIF90, # try to specify the directory containing "mpif.h" in IFLAGS # and to specify the location of MPI libraries in MPI_LIBS MPIF90???????? = mpif90 #F90?????????? = gfortran CC???????????? = cc F77??????????? = gfortran # C preprocessor and preprocessing flags - for explicit preprocessing, # if needed (see the compilation rules above) # preprocessing flags must include DFLAGS and IFLAGS CPP??????????? = cpp CPPFLAGS?????? = -P -traditional $(DFLAGS) $(IFLAGS) # compiler flags: C, F90, F77 # C flags must include DFLAGS and IFLAGS # F90 flags must include MODFLAGS, IFLAGS, and FDFLAGS with appropriate syntax CFLAGS???????? = -O3 $(DFLAGS) $(IFLAGS) F90FLAGS?????? = $(FFLAGS) -x f95-cpp-input $(FDFLAGS) $(IFLAGS) $(MODFLAGS) FFLAGS???????? = -O3 # compiler flags without optimization for fortran-77 # the latter is NEEDED to properly compile dlamch.f, used by lapack FFLAGS_NOOPT?? = -O0 # Linker, linker-specific flags (if any) # Typically LD coincides with F90 or MPIF90, LD_LIBS is empty LD???????????? = mpif90 LDFLAGS??????? = LD_LIBS??????? = # External Libraries (if any) : blas, lapack, fft, MPI # If you have nothing better, use the local copy : ../flib/blas.a BLAS_LIBS????? = ../flib/blas.a # The following lapack libraries will be available in flib/ : # ../flib/lapack.a : contains all needed routines # ../flib/lapack_atlas.a: only routines not present in the Atlas library # For IBM machines with essl (-D__ESSL): load essl BEFORE lapack ! # remember that LAPACK_LIBS precedes BLAS_LIBS in loading order LAPACK_LIBS??? = ../flib/lapack.a # nothing needed here if the the internal copy of FFTW is compiled # (needs -D__FFTW in DFLAGS) FFT_LIBS?????? = # For parallel execution, the correct path to MPI libraries must # be specified in MPI_LIBS (except for IBM if you use mpxlf) MPI_LIBS?????? = # IBM-specific: MASS libraries, if available and if -D__MASS is defined in FDFLAGS MASS_LIBS????? = # pgplot libraries (used by some post-processing tools) PGPLOT_LIBS??? = # ar command and flags - for most architectures: AR = ar, ARFLAGS = ruv # ARFLAGS_DYNAMIC is used in iotk to produce a dynamical library, # for Mac OS-X with PowerPC and xlf compiler. In all other cases # ARFLAGS_DYNAMIC = $(ARFLAGS) AR???????????? = ar ARFLAGS??????? = ruv ARFLAGS_DYNAMIC= ruv # ranlib command. If ranlib is not needed (it isn't in most cases) use # RANLIB = echo RANLIB???????? = ranlib # all internal and external libraries - do not modify LIBOBJS??????? = ../flib/ptools.a ../flib/flib.a ../clib/clib.a ../iotk/src/libiotk.a ../Multigrid/mglib.a LIBS?????????? = $(LAPACK_LIBS) $(BLAS_LIBS) $(FFT_LIBS) $(MPI_LIBS) $(MASS_LIBS) $(PGPLOT_LIBS) $(LD_LIBS) ? _______________________________________________ Pw_forum mailing list Pw_forum at pwscf.org http://www.democritos.it/mailman/listinfo/pw_forum -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20100512/791f194d/attachment-0001.htm
