[CP2K:7159] CP2K installation, Getting an error

Jörg Saßmannshausen j.sassma... at ucl.ac.uk
Mon Nov 16 22:25:33 UTC 2015


Hi Rakesh,

two questions:

- which compiler are you using?
- if you got problems with the compile, it often helps to run a single threat 
'make' rather then 20 jobs at the same time, i.e.:

$  make ARCH=Linux-x86-64-gfortran VERSION=popt

Maybe that unearths something here.

All the best from a dark London

Jörg

On Montag 16 November 2015 rakes... at students.iiserpune.ac.in wrote:
> *Arch File*:
> CC         = cc
> CPP        =
> FC         = mpif90
> LD         = mpif90
> AR         = ar -r
> ACML_INC   = $(ACMLPATH)/include
> ACML_LIB   = $(ACMLPATH)/lib
> FFTW_INC   = $(GCC_DIR)/fftw/3.3-gnu/include
> FFTW_LIB   = $(GCC_DIR)/fftw/3.3-gnu/lib64
> LIBINT_INC = $(GCC_DIR)/libint/1.1.4-LARGE_L-gnu/include
> LIBINT_LIB = $(GCC_DIR)/libint/1.1.4-LARGE_L-gnu/lib64
> LIBXC_INC  = $(GCC_DIR)/libxc/2.0.1-gnu/include
> LIBXC_LIB  = $(GCC_DIR)/libxc/2.0.1-gnu/lib64
> DFLAGS     = -D__GFORTRAN -D__FFTACML -D__FFTSG -D__FFTW3 -D__LIBINT
> -D__LIBXC2\
>              -D__LIBINT_MAX_AM=7 -D__LIBDERIV_MAX_AM1=6 -D__MAX_CONTR=4\
>              -D__parallel -D__BLACS -D__SCALAPACK
> CPPFLAGS   =
> FCFLAGS    = $(DFLAGS) -O2 -ffast-math -ffree-form -ffree-line-length-none\
>              -ftree-vectorize -funroll-loops\
>              -mtune=native\
>              -I$(ACML_INC) -I$(FFTW_INC) -I$(LIBINT_INC) -I$(LIBXC_INC)
> LDFLAGS    = $(FCFLAGS) -static-libgfortran
> LIBS       = $(LIBPATH)/libscalapack-gnu.a\
>              $(ACML_LIB)/libacml.a\
>              $(FFTW_LIB)/libfftw3.a\
>              $(LIBXC_LIB)/libxc.a\
>              $(LIBINT_LIB)/libderiv.a\
>              $(LIBINT_LIB)/libint.a
> 
> *$ make -j 20 ARCH=Linux-x86-64-gfortran VERSION=popt*    (What could be
> the reason for this error)
> 
> /home/guest/rakesh/cp2k-2.5.1/makefiles/../src/fft_lib/fftw3_lib.F:188.57:
> 
>                               FFTW_FORWARD, FFTW_ESTIMATE, guru_supported)
>                                                          1
> Error: Symbol 'fftw_estimate' at (1) has no IMPLICIT type
> /home/guest/rakesh/cp2k-2.5.1/makefiles/../src/fft_lib/fftw3_lib.F:188.42:
> 
>                               FFTW_FORWARD, FFTW_ESTIMATE, guru_supported)
>                                           1
> Error: Symbol 'fftw_forward' at (1) has no IMPLICIT type
> /home/guest/rakesh/cp2k-2.5.1/makefiles/../src/fft_lib/fftw3_lib.F:325.33:
> 
>     fft_direction = FFTW_BACKWARD
>                                  1
> Error: Symbol 'fftw_backward' at (1) has no IMPLICIT type
> /home/guest/rakesh/cp2k-2.5.1/makefiles/../src/fft_lib/fftw3_lib.F:307.39:
> 
>          fftw_plan_type = FFTW_ESTIMATE
>                                        1
> Error: Symbol 'fftw_estimate' at (1) has no IMPLICIT type
> /home/guest/rakesh/cp2k-2.5.1/makefiles/../src/fft_lib/fftw3_lib.F:313.41:
> 
>          fftw_plan_type = FFTW_EXHAUSTIVE
>                                          1
> Error: Symbol 'fftw_exhaustive' at (1) has no IMPLICIT type
> /home/guest/rakesh/cp2k-2.5.1/makefiles/../src/fft_lib/fftw3_lib.F:323.32:
> 
>     fft_direction = FFTW_FORWARD
>                                 1
> Error: Symbol 'fftw_forward' at (1) has no IMPLICIT type
> /home/guest/rakesh/cp2k-2.5.1/makefiles/../src/fft_lib/fftw3_lib.F:309.38:
> 
>          fftw_plan_type = FFTW_MEASURE
>                                       1
> Error: Symbol 'fftw_measure' at (1) has no IMPLICIT type
> /home/guest/rakesh/cp2k-2.5.1/makefiles/../src/fft_lib/fftw3_lib.F:311.38:
> 
>          fftw_plan_type = FFTW_PATIENT
>                                       1
> Error: Symbol 'fftw_patient' at (1) has no IMPLICIT type
> /home/guest/rakesh/cp2k-2.5.1/makefiles/../src/fft_lib/fftw3_lib.F:679.40:
> 
>               zout,0,io,DO,FFTW_BACKWARD,fftw_plan_type)
>                                         1
> Error: Symbol 'fftw_backward' at (1) has no IMPLICIT type
> /home/guest/rakesh/cp2k-2.5.1/makefiles/../src/fft_lib/fftw3_lib.F:624.39:
> 
>          fftw_plan_type = FFTW_ESTIMATE
>                                        1
> Error: Symbol 'fftw_estimate' at (1) has no IMPLICIT type
> /home/guest/rakesh/cp2k-2.5.1/makefiles/../src/fft_lib/fftw3_lib.F:630.41:
> 
>          fftw_plan_type = FFTW_EXHAUSTIVE
>                                          1
> Error: Symbol 'fftw_exhaustive' at (1) has no IMPLICIT type
> /home/guest/rakesh/cp2k-2.5.1/makefiles/../src/fft_lib/fftw3_lib.F:676.39:
> 
>               zout,0,io,DO,FFTW_FORWARD,fftw_plan_type)
>                                        1
> Error: Symbol 'fftw_forward' at (1) has no IMPLICIT type
> /home/guest/rakesh/cp2k-2.5.1/makefiles/../src/fft_lib/fftw3_lib.F:626.38:
> 
>          fftw_plan_type = FFTW_MEASURE
>                                       1
> Error: Symbol 'fftw_measure' at (1) has no IMPLICIT type
> /home/guest/rakesh/cp2k-2.5.1/makefiles/../src/fft_lib/fftw3_lib.F:628.38:
> 
>          fftw_plan_type = FFTW_PATIENT
>                                       1
> Error: Symbol 'fftw_patient' at (1) has no IMPLICIT type
> make[1]: *** [fftw3_lib.o] Error 1
> make[1]: *** Waiting for unfinished jobs....
> make[1]: Leaving directory
> `/home/guest/rakesh/cp2k-2.5.1/obj/Linux-x86-64-gfortran/popt'
> make: *** [build] Error 2


-- 
*************************************************************
Dr. Jörg Saßmannshausen, MRSC
University College London
Department of Chemistry
20 Gordon Street
London
WC1H 0AJ 

email: j.sassma... at ucl.ac.uk
web: http://sassy.formativ.net

Please avoid sending me Word or PowerPoint attachments.
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