[CP2K-user] [CP2K:11474] Error when compiling CP2K 6.1 ver popt

[Bich Phuong]

Dear Matthias,

I compiled it successfully.
Thank you.

On Sun, 24 Mar 2019 at 15:13, Krack Matthias (PSI) <matthia... at psi.ch>
wrote:

> Hi Phuong Nguyen
>
>
>
> The error is quite clear, you have to provide/install the libz on your
> system. The corresponding (Centos) package is most likely zlib.
>
>
>
> Matthias
>
>
>
> *Von:* cp... at googlegroups.com <cp... at googlegroups.com> * Im Auftrag von *Phuong
> Nguyen
> *Gesendet:* Sonntag, 24. März 2019 12:43
> *An:* cp2k <cp... at googlegroups.com>
> *Betreff:* [CP2K:11474] Error when compiling CP2K 6.1 ver popt
>
>
>
> Hello,
>
>
>
> I tried to compile CP2K and had an error. Could you help me take a look at
> my problem?
>
> I used CP2K 6.1 with BLAS-3.8.0, LAPACK-3.8.0, SCALAPACK-2.0.2,
> FFTW-3.3.8, LIBINT-1.1.4, LIBXC-4.3.4, LIBXSMM (master-1.10-931),
> openMPI-4.0.0.
>
>
>
> This is the *Linux-x86-64-gfortran.popt* file:
>
> ---------------------------------------------------------
>
> CC          = gcc
>
> CPP         =
>
> FC          = mpif90
>
> LD          = mpif90
>
> AR          = ar -r
>
> FFTW_INC   = /home/centos/Phuong/fftw/include
>
> FFTW_LIB   = /home/centos/Phuong/fftw/lib
>
> LIBINT_INC = /home/centos/Phuong/libint/include
>
> LIBINT_LIB = /home/centos/Phuong/libint/lib
>
> LIBXC_INC  = /home/centos/Phuong/libxc/include
>
> LIBXC_LIB  = /home/centos/Phuong/libxc/lib
>
> LIBXSMM_INC= /home/centos/Phuong/libxsmm/include
>
> LIBXSMM_LIB= /home/centos/Phuong/libxsmm/lib
>
> DFLAGS      = -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM\
>
>                        -D__LIBINT_MAX_AM=7 -D__LIBDERIV_MAX_AM1=6
> -D__MAX_CONTR=4\
>
>                        -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) -I$(LIBINT_INC) -I$(LIBXC_INC) -I$(LIBXSMM_INC)
>
> LDFLAGS     = $(FCFLAGS) -static
>
> LIBS        = $(SCALAPACK)\
>
>               $(LAPACK)\
>
>               $(BLAS)\
>
>               $(FFTW_LIB)/libfftw3.a\
>
>               $(LIBXC_LIB)/libxcf03.a\
>
>               $(LIBXC_LIB)/libxc.a\
>
>               $(LIBINT_LIB)/libderiv.a\
>
>               $(LIBINT_LIB)/libint.a\
>
>               $(LIBXSMM_LIB)/libxsmmf.a\
>
>               $(LIBXSMM_LIB)/libxsmm.a
>
>
> ---------------------------------------------------------------------------------------------------------
>
>
>
> *Env *
>
>
> ---------------------------------------------------------------------------------------------------------
>
> export PATH=$PATH:/home/centos/Phuong/openmpi/bin
>
> export LD_LIBRARY_PATH=$LD_LIBRARY_PATH:/home/centos/Phuong/openmpi/lib
>
> export IN_CP2K=/home/centos/Phuong
>
> export LAPACK=/home/centos/Phuong/lapack-3.8.0/liblapack.a
>
>
> export BLAS=/home/centos/Phuong/BLAS-3.8.0/libblas.a
>
>
> export SCALAPACK=$IN_CP2K/scalapack-2.0.2/libscalapack.a
>
>
> ---------------------------------------------------------------------------------------------------------
>
>
> ---------------------------------------------------------------------------------------------------------
>
>
>
> It raised this error
>
>
>
> I also attached the output of compiling process below.
>
> Thanks for your time.
>
>
>
>
>
> Regards,
>
> Phuong Nguyen
>
> University of Tartu, Estonia
>
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