[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.
See http://www.gnu.org/philosophy/no-word-attachments.html
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