[CP2K-user] CP2K + Plumed2

[Luca]

I forgot to attach my arch file:

-------------------------------------------------------------------------------------------------------------------------------------
CC       = mpiicc
CPP      =
FC       = mpiifort 
LD       = mpiifort
AR       = ar -r

MKLROOT  = /compilers/intel/pe-xe-2018/binary/mkl
MKL_INC  = /compilers/intel/pe-xe-2018/binary/mkl/include
LIBXC_LIB = /libraries/libxc/4.3.2/intel--pe-xe-2018--binary/lib
LIBXC_INC = /libraries/libxc/4.3.2/intel--pe-xe-2018--binary/include
include = 
/CODES/INTEL18/PLUMED/plumed246/lib/plumed/src/lib/Plumed.inc.static
EXTERNAL_OBJECTS=$(PLUMED_STATIC_DEPENDENCIES)

CPPFLAGS = -C $(DFLAGS) -P -traditional -I${MKL_INC} -I${MKL_INC}/fftw 
-I$(LIBXC_INC) -I$(PLUMED_INC) 
DFLAGS   = -D__INTEL -D__FFTSG -D__parallel -D__BLACS -D__SCALAPACK 
-D__FFTMKL -D__FFTW3_UNALIGNED -D__LIBXC -D__PLUMED2 
FCFLAGS  = $(DFLAGS)  -I${MKL_INC} -I${MKL_INC}/fftw -O2 -fpp -free 
-heap-arrays 64 -I$(LIBXC_INC) -I$(PLUMED_INC)
LDFLAGS_C  = $(FCFLAGS)  -L/$(MKLROOT)/lib/intel64 -nofor_main 
-L$(LIBXC_LIB)
LDFLAGS  = $(FCFLAGS)

LIBS    = $(PLUMED_STATIC_DEPENDENCIES) -lz -ldl -lstdc++ 
-L$(MKLROOT)/lib/intel64 -mkl -lmkl_scalapack_lp64 
-lmkl_blacs_intelmpi_lp64 -lmkl_intel_lp64 \
          -lmkl_intel_thread -lmkl_core -lm -lpthread -liomp5 
-L$(LIBXC_LIB) -lxcf03 -lxc -lstdc++

OBJECTS_ARCHITECTURE = machine_intel.o
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

Hope that someone can help!

Bests
Luca 






On Wednesday, October 16, 2019 at 1:37:31 PM UTC+2, Luca wrote:
>
> Dear Developers
>
> I am trying to link CP2K (trunk) with Plumed 2.5.3.
> I modified my working arch file as recommended on the webpage 
> https://www.cp2k.org/howto:install_with_plumed.
> Unfortunately the compilation crash with the error:
>
>  
> ....popt/libcp2kmain.a(metadynamics.o): In function 
> `metadynamics_mp_metadyn_finalise_plumed_':
> metadynamics.F90:(.text+0x27): undefined reference to `plumed_f_gfinalize_'
>
> I am using the Intel18 compilers and libraries (mkl and MPI)  for both 
> CP2K and Plumed
> Could you please help me with this issue?
>
> Best Regards.
> Luca 
>
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