[CP2K:4014] cp2k compilation error

Alin M Elena alinm... at gmail.com
Fri Sep 7 08:44:54 UTC 2012

Dear Jeya,

I had a short look at your linking line that you posted... 
I will suggest you few things...

* try to read the build instructions again and only when they make sense to 
you try to move forward.. otherwise you are on a disaster trajectory.
* be sure you select a matching preprocessing option and lib for fftw
* when you try to report a build error post the arch file used too...
* understand the difference between compile and link... (eg your error is a 
link error not a compile error)
* understand differences between static and dynamic libs and how one uses them 
to link against


On Fri 07 Sep 2012 10:22:05 Jeya vimalan wrote:

Dear All,

I am trying to compile cp2k the new version,
but i end up with the following error.

I have this libfftw3.a in the ~usr/bin/lib folder,
but i can't be successful yet.

Can you plese help.

best regards,

mpif90 -D__INTEL -D__FFTSG -D__parallel -D__BLACS -D__SCALAPACK -
D__libfftw3xf_intel.a -I -O3 -xW -heap-arrays 64 -funroll-loops -fpp -free -
D__COMPILE_ARCH="\"Linux-x86-64-intel\"" -D__COMPILE_DATE="\"Thu Sep  6 
11:52:57 CEST 2012\"" -D__COMPILE_HOST="\"ektorp\"" -
D__COMPILE_REVISION="\"12343\"" -I -o /home/work-
x86-64-intel/cp2k.popt cp2k.o /home/work-
x86-64-intel/popt/libcp2k_lib.a /home/work-
x86-64-intel/popt/libcp2k_dbcsr_lib.a /home/work-
x86-64-intel/popt/libcp2k_fft_lib.a /home/work-
x86-64-intel/popt/libcp2k_base_lib.a /home/work-
x86-64-intel/popt/libcp2k_ma_lib.a    /libscalapack.a /libblacs_init.a 
/libblacs.a /libacml.a /libacml_mv.a /libfftw3.a 
ld: cannot find /libfftw3.a: No such file or directory
make[2]: *** [/home/work-
x86-64-intel/cp2k.popt] Error 1
make[2]: Leaving directory `/home/work-
make[1]: *** [build] Error 2
make[1]: Leaving directory `/home/work-
make: *** [popt] Error 2

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Without Questions there are no Answers!
Alin Marin ELENA
Advanced Molecular Simulation Research Laboratory
School of Physics, University College Dublin
Ardionsamblú Móilíneach Saotharlann Taighde
Scoil na Fisice, An Coláiste Ollscoile, Baile Átha Cliath

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