Compilling problems

[rdela... at gmail.com]

Hello and thank you Jörg

I compile the next arch file:

CC         = gcc
CPP        =
FC         = gfortran
LD         = gfortran
AR         = ar -r
ACML_INC   = /home/ralf/ACML/gfortran64_mp/include
ACML_LIB   = /home/ralf/ACML/gfortran64_mp/lib
FFTW_INC   = /usr/local/include/
FFTW_LIB   = /usr/local/lib/
LIBINT_INC = /usr/local/libint/1.1.4-stable/include
LIBINT_LIB = /usr/local/libint/1.1.4-stable/lib
LIBXC_INC  = /opt/etsf/include
LIBXC_LIB  = /opt/etsf/lib
DFLAGS     = -D__FFTW3 -D__LIBINT -D__LIBXC2\
             -D__LIBINT_MAX_AM=7 -D__LIBDERIV_MAX_AM1=6 -D__MAX_CONTR=4
CPPFLAGS   = 
FCFLAGS    = $(DFLAGS) -O2 -ffast-math -ffree-form -ffree-line-length-none\
             -fopenmp -ftree-vectorize -funroll-loops\
             -mtune=native\
             -I$(ACML_INC) -I$(FFTW_INC) -I$(LIBINT_INC) -I$(LIBXC_INC)
LDFLAGS    = $(FCFLAGS) -static-libgfortran
LIBS       = $(ACML_LIB)/libacml_mp.so\
             $(FFTW_LIB)/libfftw3.a\
             $(FFTW_LIB)/libfftw3_threads.a\
             $(LIBXC_LIB)/libxcf90.a\
             $(LIBXC_LIB)/libxc.a\
             $(LIBINT_LIB)/libderiv.a\
             $(LIBINT_LIB)/libint.a

And when I run the tests I obtain in all 2500 cases this kind of error

/home/ralf/cp2k-4.1/regtesting/make/ssmp/TEST-make-ssmp-2017-02-14_13-35-10/optimize_input/regtest-1/driver-stride.inp.out
/home/ralf/cp2k-4.1/regtesting/make/ssmp/../../..//exe/make/cp2k.ssmp: 
error while loading shared libraries: libacml_mp.so: cannot open shared 
object file: No such file or directory
EXIT CODE:  127  MEANING:  RUNTIME FAIL

I should use libacml_mp.a for the compilling but in my installation this 
file doesn appear

Rafa


El martes, 14 de febrero de 2017, 13:11:16 (UTC+1), rdel... at gmail.com 
escribió:
>
> Hello all.
>
> I have been trying to compile and execute cp2k in my computer but i'm 
> having problems.
>
> I use a modified arch file including my routes to files and libreries. 
> When I compile it works but wher runing the tests it fails in all the cases.
>
> Could anyone help me with this? My computer is an intel i7-920 with 4 
> cores and 8 threadings. I have a CUDA capable graphic card so i like to 
> enable it (I have installed the last version of the nvidia CUDA kit)
> About the software i run ubuntu 16.04.4 with gfortran and gcc, both 
> versions 5.4.0. Also I have installed the last version of the intel MKL 
> library (aditionally i also have ACML). Finally I'd like to compile cp2k 
> with libint, libxc and fftw. All three are compiled and installed in my 
> computer
>
> Any help for the creation of the appropiate arch file in wellcome.
>
> That you all in advance.
>
> Rafa
>
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