[Pw_forum] installation Error

[Mahmoud Payami]

Dear Lu,

Thank you very much for sending the file. Mine is almost the same but adapted for ifc6. The compiling job of the code has been done before.
One question:
Do you mean that ifc7+MKL does not need any changes in
"make.sys" and "/include/machine.h" except for adding "-lguide" and your own "fftw.a"-path?

Best regards,
                  Mahmoud



  Dear Mahmoud,

  I found you are still troubled in installation steps ( Intel Compiler). 

  So I upload my setup for you.

  Here is my system's configuration:

  CPU = Intel P4
  Os  = Linux RedHat 8.0
  Compilier = Intel Compiler 7.0
  Intel Mathematical Kernel Library Ver.5.2
  FFTW = Precompiled by DFTGWA group for Intel P4 exclusive and Intel Compiler 

  Here is my file( make.sys):

  OSHOME=/home/lucre/pwscf
  #
  # System-dependent Make definitions for Linux, Intel compiler (v.5-6)
  # Edit according to your needs
  #
  # add -DMKL if using the Intel Mathematical Kernel Library
  # Add -DADD_BLAS_ONE_UNDERSCORE if your blas/lapack library names contain 
  # two underscores at the end
  # Define FFTW library names with one underscore less than they have in
  # the library (one underscore is added by the compiler)
  #
  CPPFLAGS = -I$(OSHOME)/include/ -DPC -DMKL -DFFTW  \
             -D"FFTWND_F77_ONE=fftwnd_f77_one" \
             -D"FFTW3D_F77_CREATE_PLAN=fftw3d_f77_create_plan" \
             -D"FFTW_F77=fftw_f77" \
             -D"FFTW_F77_CREATE_PLAN=fftw_f77_create_plan"
  #
  # Fortran compiler:
  #
  F90 = ifc
  #
  # fortran options:
  # -Vaxlib         enables the use of portability libraries (getarg
  #                 and maybe other library calls)
  # -W0             disable warnings
  # -O3             more aggressive optimization
  # -tpp5           Pentium    optimization
  # -tpp6           Pentium Pro, 2, 3  optimization
  # -tpp7           Pentium 4  optimization
  #
  FFLAGS =-Vaxlib -O2 -tpp7 -w

  F90FLAGS= $(FFLAGS) -fpp $(CPPFLAGS)
  #
  # This is needed to tell the compiler where modules are
  # use this for version < 7
  # MODULEFLAG= -cl,./intel.pcl
  # use this for version = 7
  MODULEFLAG= -nomodule -I $(OSHOME)/Modules -I$(OSHOME)/PW -I$(OSHOME)/PH
  #
  # Loader:
  #
  # The following is for Intel MKL libraries v. 5.1 on Pentium-4
  # (remember -DMKL in CPPFLAGS !)
  # For MKL v. 5.2, add "-lguide"
  # Use libmkl_p3 for Pentium-3, libmkl_p4.a for Pentium-4 machines 
  # (MKL will likely not work for other CPUs like Athlon)
  #
  LIBS= /home/lucre/ecal/fftw/libfftw.a /opt/intel/mkl/lib/32/libmkl_lapack.a \
        /opt/intel/mkl/lib/32/libmkl_p4.a -lguide -lpthread
  #
  # The following is for Atlas optimized blas/lapack libraries
  # You may not actually need -lcblas . See the manual for details
  # on how to fix I/O incompatibility problems with ifc
  #
  # LIBS = -lfftw -L$(HOME)/Linux_ATHLON256/ -llapack -lf77blas -lcblas -latlas
  #
  LD=$(F90)
  LFLAGS = -Vaxlib $(LIBS)

  #
  # ar:
  #
  AR = ar
  ARFLAGS = ruv




  Have funs for PWscf,

  =======================================================
  Lu Fu-Fa, Doctoral Student, E-mail: g930102 at ccit.edu.tw
  Semiconductors Lab., Dept. of Applied Physics
  Chung Cheng Institute of Technology (CCIT), Taiwan
  ======================================================= 
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