[CP2K:6211] Error in compiling CP2K trunk version with PLUMED-2.1.1

[Iain Bethune]

I think you might need to add -lmpi_cxx  to LIBS as well (for the C++ MPI interface, which is in a separate library with OpenMPI), and also -lrt (for the clock_gettime) call.

Hope that should do the trick!

Cheers

- Iain
--

Iain Bethune
Project Manager, EPCC

Email: ibet... at epcc.ed.ac.uk
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> On 9 Mar 2015, at 14:46, Hang Xiao <xiaoh... at gmail.com> wrote:
> 
> Hi Iain,
> 
> Thank you for your help.
> I have modified Arch file in the way you mentioned:
> 
> # CP2K 2.6 Tested with: GFortran 4.9.1, OPENMPI 1.6.5
> include /usr/local/lib/plumed/src/lib/Plumed.inc
> EXTERNAL_OBJECTS=$(PLUMED_STATIC_DEPENDENCIES)
> CC         = cc
> CPP        =
> FC         = mpif90
> LD         = mpif90
> AR         = ar -r
> DFLAGS   = -D__parallel  -D__SCALAPACK -D__FFTW3 -D__PLUMED2
> CPPFLAGS =
> FCFLAGS  = $(DFLAGS)  -ffree-form -O2 -ffast-math -march=opteron -cpp -g
> LDFLAGS  = $(FCFLAGS)  
> LIBS     = -L/usr/lib -lscalapack-openmpi -lblacsF77init-openmpi -lblacs-openmpi -llapack -lblas   -lfftw3 -lz -ldl -lstdc++
> 
> 
> OBJECTS_ARCHITECTURE = machine_gfortran.o
> 
> 
> But it still does not work. I have attached the output in attachment. 
> 
> Best,
> 
> Hang
> 
> PhD student
> Room 829, Mudd Building
> Department of Earth and Environmental Engineering
> Columbia University
> New York, NY, 10027
> 
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