[CP2K:8383] cp2k4.1 compilation error

Jörg Saßmannshausen j.sassma... at ucl.ac.uk
Fri Nov 11 14:38:21 CET 2016


Hi Srinath,

it looks like mpif90 does not find the gfortran compiler.

What does happen if you are doing this:

$ mpif90 --version

I have compiled it with gfortran just yesterday and I did not have any 
problems so I know it is working.

All the best from a sunny London

Jörg

On Friday 11 Nov 2016 05:24:58 srinath yelchuri wrote:
> [root at masternode makefiles]# make -j 4 ARCH=Linux-x86-64-gfortran
> VERSION=popt
> Discovering programs ...
> Removing stale archives for popt ...
> Resolving dependencies for popt ...
> mpif90 -D__FFTW3 -D__parallel -D__SCALAPACK -O2 -ffast-math -ffree-form
> -ffree-line-length-none -ftree-vectorize -funroll-loops -mtune=native
> -I/opt/fftw/include  -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\""
> -D__COMPILE_DATE="\"Fri Nov 11 18:55:22 IST 2016\""
> -D__COMPILE_HOST="\"masternode\"" -D__COMPILE_REVISION="\"svn:17462\""
> -D__DATA_DIR="\"/opt/cp2k41/data\"" -static-libgfortran
>  -L/opt/cp2k41/lib/Linux-x86-64-gfortran/popt -o
> /opt/cp2k41/exe/Linux-x86-64-gfortran/dbcsr_example_1.popt
> dbcsr_example_1.o  -ldbcsr -ldbcsrarnoldi -ldbcsrvec -ldbcsrmm -ldbcsrops
> -ldbcsrbblock -ldbcsrbdist -ldbcsrbase -ldbcsrdata -ldbcsrerr -lcp2kmpiwrap
> -lmicsmm -lclsmm -lcp2kacc -lcp2kaccmic -lcp2kaccopencl -lcp2kbase
> /opt/scalapack-2.0.2/libscalapack.a /opt/fftw/lib/libfftw3.a
> /opt/etsf/lib/libxcf90.a /opt/etsf/lib/libxc.a
> /opt/libint-1.1.4/lib/libderiv.a /opt/libint-1.1.4/lib/libint.a
> mpif90 -D__FFTW3 -D__parallel -D__SCALAPACK -O2 -ffast-math -ffree-form
> -ffree-line-length-none -ftree-vectorize -funroll-loops -mtune=native
> -I/opt/fftw/include  -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\""
> -D__COMPILE_DATE="\"Fri Nov 11 18:55:22 IST 2016\""
> -D__COMPILE_HOST="\"masternode\"" -D__COMPILE_REVISION="\"svn:17462\""
> -D__DATA_DIR="\"/opt/cp2k41/data\"" -static-libgfortran
>  -L/opt/cp2k41/lib/Linux-x86-64-gfortran/popt -o
> /opt/cp2k41/exe/Linux-x86-64-gfortran/dbcsr_example_2.popt
> dbcsr_example_2.o  -ldbcsr -ldbcsrarnoldi -ldbcsrvec -ldbcsrmm -ldbcsrops
> -ldbcsrbblock -ldbcsrbdist -ldbcsrbase -ldbcsrdata -ldbcsrerr -lcp2kmpiwrap
> -lmicsmm -lclsmm -lcp2kacc -lcp2kaccmic -lcp2kaccopencl -lcp2kbase
> /opt/scalapack-2.0.2/libscalapack.a /opt/fftw/lib/libfftw3.a
> /opt/etsf/lib/libxcf90.a /opt/etsf/lib/libxc.a
> /opt/libint-1.1.4/lib/libderiv.a /opt/libint-1.1.4/lib/libint.a
> mpif90 -D__FFTW3 -D__parallel -D__SCALAPACK -O2 -ffast-math -ffree-form
> -ffree-line-length-none -ftree-vectorize -funroll-loops -mtune=native
> -I/opt/fftw/include  -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\""
> -D__COMPILE_DATE="\"Fri Nov 11 18:55:22 IST 2016\""
> -D__COMPILE_HOST="\"masternode\"" -D__COMPILE_REVISION="\"svn:17462\""
> -D__DATA_DIR="\"/opt/cp2k41/data\"" -static-libgfortran
>  -L/opt/cp2k41/lib/Linux-x86-64-gfortran/popt -o
> /opt/cp2k41/exe/Linux-x86-64-gfortran/dbcsr_example_3.popt
> dbcsr_example_3.o  -ldbcsr -ldbcsrarnoldi -ldbcsrvec -ldbcsrmm -ldbcsrops
> -ldbcsrbblock -ldbcsrbdist -ldbcsrbase -ldbcsrdata -ldbcsrerr -lcp2kmpiwrap
> -lmicsmm -lclsmm -lcp2kacc -lcp2kaccmic -lcp2kaccopencl -lcp2kbase
> /opt/scalapack-2.0.2/libscalapack.a /opt/fftw/lib/libfftw3.a
> /opt/etsf/lib/libxcf90.a /opt/etsf/lib/libxc.a
> /opt/libint-1.1.4/lib/libderiv.a /opt/libint-1.1.4/lib/libint.a
> mpif90 -D__FFTW3 -D__parallel -D__SCALAPACK -O2 -ffast-math -ffree-form
> -ffree-line-length-none -ftree-vectorize -funroll-loops -mtune=native
> -I/opt/fftw/include  -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\""
> -D__COMPILE_DATE="\"Fri Nov 11 18:55:22 IST 2016\""
> -D__COMPILE_HOST="\"masternode\"" -D__COMPILE_REVISION="\"svn:17462\""
> -D__DATA_DIR="\"/opt/cp2k41/data\"" -static-libgfortran
>  -L/opt/cp2k41/lib/Linux-x86-64-gfortran/popt -o
> /opt/cp2k41/exe/Linux-x86-64-gfortran/dbcsr_performance_driver.popt
> dbcsr_performance_driver.o  -ldbcsr -ldbcsrarnoldi -ldbcsrvec -ldbcsrmm
> -ldbcsrops -ldbcsrbblock -ldbcsrbdist -ldbcsrbase -ldbcsrdata -ldbcsrerr
> -lcp2kmpiwrap -lmicsmm -lclsmm -lcp2kacc -lcp2kaccmic -lcp2kaccopencl
> -lcp2kbase /opt/scalapack-2.0.2/libscalapack.a /opt/fftw/lib/libfftw3.a
> /opt/etsf/lib/libxcf90.a /opt/etsf/lib/libxc.a
> /opt/libint-1.1.4/lib/libderiv.a /opt/libint-1.1.4/lib/libint.a
> /usr/bin/ld: cannot find/ -lgfortran
> usr/usr/bin/ld: cannot find -lgfortran
> /usr/bin/ld: cannot find -lgfortran/bin
> /ld: cannot find -lgfortran
> /usr/bincollect2: error: ld returned 1 exit status
> /ld: cannot find -lgfortran
> /usr/bin/ld: cannot find -lgfortran
> collect2: error: ld returned 1 exit status
> make[3]: *** [/opt/cp2k41/exe/Linux-x86-64-gfortran/dbcsr_example_3.popt]
> Error 1
> make[3]: *** Waiting for unfinished jobs....
> make[3]: ***
> [/opt/cp2k41/exe/Linux-x86-64-gfortran/dbcsr_performance_driver.popt] Error
> 1
> /usr/bin/ld: cannot find -lgfortran
> /usr/bin/ld: cannot find -lgfortran
> /usr/bin/ld: cannot find -lgfortran
> collect2: error: ld returned 1 exit status
> make[3]: *** [/opt/cp2k41/exe/Linux-x86-64-gfortran/dbcsr_example_1.popt]
> Error 1
> /usr/bin/ld: cannot find -lgfortran
> /usr/bin/ld: cannot find -lgfortran
> /usr/bin/ld: cannot find -lgfortran
> collect2: error: ld returned 1 exit status
> make[3]: *** [/opt/cp2k41/exe/Linux-x86-64-gfortran/dbcsr_example_2.popt]
> Error 1
> make[2]: *** [all] Error 2
> make[1]: *** [popt] Error 2
> make: *** [all] Error 2
> 
> 
> 
> 
> my make file is Linux-x86-64-gfortran.popt
> 
> 
> # Tested with: GFortran 4.9.2, MPICH 3.1, LAPACK 3.5.0, ScaLAPACK 2.0.2
> CC         = mpicc
> CPP        =
> FC         = mpif90
> LD         = mpif90
> AR         = ar -r
> #ACML_INC   = $(ACMLPATH)/include
> #ACML_LIB   = $(ACMLPATH)/lib
> FFTW_INC    = /opt/fftw/include
> FFTW_LIB    = /opt/fftw/lib
> LIBINT_INC = /opt/libint-1.1.4/include
> LIBINT_LIB = /opt/libint-1.1.4/lib
> LIBXC_INC  = /opt/etsf/include
> LIBXC_LIB  = /opt/etsf/lib
> DFLAGS     = -D__FFTW3 \
>              -D__parallel -D__SCALAPACK
> CPPFLAGS   =
> FCFLAGS    = $(DFLAGS) -O2 -ffast-math -ffree-form -ffree-line-length-none\
>              -ftree-vectorize -funroll-loops\
>              -mtune=native\
>               -I$(FFTW_INC)
> LDFLAGS    = $(FCFLAGS) -static-libgfortran
> LIBS       = /opt/scalapack-2.0.2/libscalapack.a\
>              $(FFTW_LIB)/libfftw3.a\
>              $(LIBXC_LIB)/libxcf90.a\
>              $(LIBXC_LIB)/libxc.a\
>              $(LIBINT_LIB)/libderiv.a\
>              $(LIBINT_LIB)/libint.a
> 
> 
> 
> please help any one getting out of this error


-- 
*************************************************************
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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