[CP2K:4698] Compiling cp2k on intel ifort 13.1.3 icc 13.0.0

[Ole Schütt]

Hi Samuel,

I don't know much about intel compilers.

However, the code that is causing you problems uses procedure pointers, 
which is a rather new Fortran feature.
So, why don't you just stick to the newer version of the compiler?
Alternatively, you could consider to use gfortran, which is what we're 
doing for most of the development.

-Ole


On 2013-10-16 20:13, Samuel Lamphier wrote:
> Hello, I have been trying to compile cp2k 2.4 for some time. We have
> downgraded out intel compilers to the versions ifort 13.1.3 and icc
> 13.0.0. I compiled cp2k on another computer running the same compilers
> and cent os, older version. Now on cent os 6, I receive the following
> errors:
> 
> ifort -c -D__INTEL -D__FFTMKL -D__FFTW3 -D__FFTSG
> -I/home/cormackgroup/Shared.local/intel/composerxe/mkl/include -FR -O2
> -xhost -heap-arrays -fpp -free -g dbcsr_cuda_types.f90
> ifort -c -D__INTEL -D__FFTMKL -D__FFTW3 -D__FFTSG
> -I/home/cormackgroup/Shared.local/intel/composerxe/mkl/include -FR -O2
> -xhost -heap-arrays -fpp -free -g dbcsr_toollib.f90
> ifort -c -D__INTEL -D__FFTMKL -D__FFTW3 -D__FFTSG
> -I/home/cormackgroup/Shared.local/intel/composerxe/mkl/include -FR -O2
> -xhost -heap-arrays -fpp -free -g dbcsr_config.f90
> ifort -c -D__INTEL -D__FFTMKL -D__FFTW3 -D__FFTSG
> -I/home/cormackgroup/Shared.local/intel/composerxe/mkl/include -FR -O2
> -xhost -heap-arrays -fpp -free -g dbcsr_plasma_interface.f90
> ar -r
> /home/cormackgroup/Desktop/cp2k2.4_Intel/makefiles/../lib/Darwin/popt/libcp2k_base_lib.a
> xyz_to_vab_optimised.o fast.o grid_fast.o lib_kinds.o
> ar: creating
> /home/cormackgroup/Desktop/cp2k2.4_Intel/makefiles/../lib/Darwin/popt/libcp2k_base_lib.a
> /home/cormackgroup/Desktop/cp2k2.4_Intel/makefiles/../src/dbcsr_config.F(19):
> error #6580: Name in only-list does not exist. [EXTERNAL_TIMESET]
>  external_timeset, external_timestop, timeset_interface, &
> -------^
> /home/cormackgroup/Desktop/cp2k2.4_Intel/makefiles/../src/dbcsr_config.F(19):
> error #6580: Name in only-list does not exist. [EXTERNAL_TIMESTOP]
>  external_timeset, external_timestop, timeset_interface, &
> -------------------------^
> /home/cormackgroup/Desktop/cp2k2.4_Intel/makefiles/../src/dbcsr_config.F(505):
> error #6404: This name does not have a type, and must have an explicit
> type. [EXTERNAL_TIMESET]
>  external_timeset =>timeset
> ----^
> /home/cormackgroup/Desktop/cp2k2.4_Intel/makefiles/../src/dbcsr_config.F(505):
> error #6430: This name has already been used as a dummy subroutine
> name. [TIMESET]
>  external_timeset =>timeset
> ------------------------^
> /home/cormackgroup/Desktop/cp2k2.4_Intel/makefiles/../src/dbcsr_config.F(505):
> error #6796: The variable must have the TARGET attribute or be a
> subobject of an object with the TARGET attribute, or it must have the
> POINTER attribute. [TIMESET]
>  external_timeset =>timeset
> ------------------------^
> /home/cormackgroup/Desktop/cp2k2.4_Intel/makefiles/../src/dbcsr_config.F(506):
> error #6404: This name does not have a type, and must have an explicit
> type. [EXTERNAL_TIMESTOP]
>  external_timestop =>timestop
> ----^
> /home/cormackgroup/Desktop/cp2k2.4_Intel/makefiles/../src/dbcsr_config.F(506):
> error #6430: This name has already been used as a dummy subroutine
> name. [TIMESTOP]
>  external_timestop =>timestop
> ------------------------^
> /home/cormackgroup/Desktop/cp2k2.4_Intel/makefiles/../src/dbcsr_config.F(506):
> error #6796: The variable must have the TARGET attribute or be a
> subobject of an object with the TARGET attribute, or it must have the
> POINTER attribute. [TIMESTOP]
>  external_timestop =>timestop
> ------------------------^
> compilation aborted for dbcsr_config.f90 (code 1)
> make[1]: *** [dbcsr_config.o] Error 1
> make[1]: *** Waiting for unfinished jobs....
> make[1]: Leaving directory
> `/home/cormackgroup/Desktop/cp2k2.4_Intel/obj/Darwin/popt'
> make: *** [build] Error 2
> 
> Here is the makefile
> 
> INTEL_MKL = /home/cormackgroup/Shared.local/intel/composerxe/mkl
> INTEL_INC =
> /home/cormackgroup/Shared.local/intel/composerxe/mkl/include
> INTEL_LIB = $(INTEL_MKL)/lib/intel64/
> 
> CC = icc
> CPP = cpp
> FC = ifort
> LD = ifort
> AR = ar -r
> DFLAGS = -D__INTEL -D__FFTMKL -D__FFTW3 -D__FFTSG #-D__parallel
> -D__BLACS -D__SCALAPACK
> CPPFLAGS = -C -traditional $(DFLAGS) -I$(INTEL_INC)
> FCFLAGS = $(DFLAGS) -I$(INTEL_INC) -FR -O2 -xhost -heap-arrays -fpp
> -free -g #-check bounds -fp-stack-check -check arg_temp_created
> FCFLAGS2 = $(DFLAGS) -I$(INTEL_INC) -FR -O1 -xhost -heap-arrays -fpp
> -free -g #-check bounds -fp-stack-check -check arg_temp_created
> LDFLAGS = $(FCFLAGS) -I$(INTEL_INC)
> LIBS
> =-L/home/cormackgroup/Shared.local/intel/composer_xe_2013.5.198/mkl/interfaces/fftw3xf
> -lfftw3
>  -mkl
> 
> #/home/cormackgroup/Archive/scalapack-2.0.2/libscalapack.a
> #-L/Users/cormackgroup/Simulation/Scalapack/libscalapack.a
> #
> home/cormackgroup/Shared/intel/mkl/lib/intel64/libmkl_scalapack_lp64.a
> -mkl
> #/home/cormackgroup/Shared/intel/mkl/lib/intel64/libmkl_blacs_lp64.a
> 
> OBJECTS_ARCHITECTURE = machine_intel.o
> 
> graphcon.o: graphcon.F
>  $(FC) -c $(FCFLAGS2) $<
> 
> I am trying to compile the serial version first before the parallel
> 
> Thanks,
> -Sam
> 
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