[CP2K-user] problem running CP2K after succesful compilation

Karel Asselman karel.... at gmail.com
Tue Apr 27 07:50:52 UTC 2021



Hello,

I am trying to use CP2K on Ubuntu 20.04.2. Compilation via the toolchain 
didn`t give any trouble, I also followed all instructions. When trying to 
call the executable (e.g. cp2k.sopt --version) i get this error: *error 
while loading shared libraries: libplumedKernel.so: cannot open shared 
object file: No such file or directory*

I add the output of *ldd cp2k.psmp* command in the attachment. it says *libplumedKernel.so 
=> not found* . it seems like i am missing a library or something?

Thank you very much
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(base) karel at karel-Z370P-D3:~/Documents/cp2k-8.1/exe/local$ ldd cp2k.psmp
	linux-vdso.so.1 (0x00007ffd2dfaa000)
	libspfft.so.0 => /home/karel/Documents/cp2k-8.1/tools/toolchain/install/SpFFT-0.9.13/lib/libspfft.so.0 (0x00007fb5eabb4000)
	libsymspg.so.1 => /home/karel/Documents/cp2k-8.1/tools/toolchain/install/spglib-1.16.0/lib/libsymspg.so.1 (0x00007fb5eab63000)
	libhdf5.so.200 => /home/karel/Documents/cp2k-8.1/tools/toolchain/install/hdf5-1.12.0/lib/libhdf5.so.200 (0x00007fb5ea66d000)
	libhdf5_hl.so.200 => /home/karel/Documents/cp2k-8.1/tools/toolchain/install/hdf5-1.12.0/lib/libhdf5_hl.so.200 (0x00007fb5ea647000)
	libgsl.so.25 => /home/karel/Documents/cp2k-8.1/tools/toolchain/install/gsl-2.6/lib/libgsl.so.25 (0x00007fb5ea38b000)
	libgslcblas.so.0 => /home/karel/Documents/cp2k-8.1/tools/toolchain/install/gsl-2.6/lib/libgslcblas.so.0 (0x00007fb5ea34e000)
	libplumed.so => /home/karel/Documents/cp2k-8.1/tools/toolchain/install/plumed-2.6.2/lib/libplumed.so (0x00007fb5ea343000)
	libdl.so.2 => /lib/x86_64-linux-gnu/libdl.so.2 (0x00007fb5ea324000)
	libstdc++.so.6 => /lib/x86_64-linux-gnu/libstdc++.so.6 (0x00007fb5ea143000)
	libz.so.1 => /lib/x86_64-linux-gnu/libz.so.1 (0x00007fb5ea127000)
	libpthread.so.0 => /lib/x86_64-linux-gnu/libpthread.so.0 (0x00007fb5ea104000)
	libfftw3_mpi.so.3 => /home/karel/Documents/cp2k-8.1/tools/toolchain/install/fftw-3.3.8/lib/libfftw3_mpi.so.3 (0x00007fb5ea0ee000)
	libfftw3.so.3 => /home/karel/Documents/cp2k-8.1/tools/toolchain/install/fftw-3.3.8/lib/libfftw3.so.3 (0x00007fb5e9ec5000)
	libfftw3_omp.so.3 => /home/karel/Documents/cp2k-8.1/tools/toolchain/install/fftw-3.3.8/lib/libfftw3_omp.so.3 (0x00007fb5e9ebd000)
	libmpi.so.12 => /home/karel/Documents/cp2k-8.1/tools/toolchain/install/mpich-3.3.2/lib/libmpi.so.12 (0x00007fb5e9bb3000)
	libmpicxx.so.12 => /home/karel/Documents/cp2k-8.1/tools/toolchain/install/mpich-3.3.2/lib/libmpicxx.so.12 (0x00007fb5e9b8f000)
	libopenblas.so.0 => /home/karel/Documents/cp2k-8.1/tools/toolchain/install/openblas-0.3.10/lib/libopenblas.so.0 (0x00007fb5e9016000)
	libmpifort.so.12 => /home/karel/Documents/cp2k-8.1/tools/toolchain/install/mpich-3.3.2/lib/libmpifort.so.12 (0x00007fb5e8f95000)
	libgfortran.so.5 => /lib/x86_64-linux-gnu/libgfortran.so.5 (0x00007fb5e8ccd000)
	libm.so.6 => /lib/x86_64-linux-gnu/libm.so.6 (0x00007fb5e8b7e000)
	libmvec.so.1 => /lib/x86_64-linux-gnu/libmvec.so.1 (0x00007fb5e8b52000)
	libgomp.so.1 => /lib/x86_64-linux-gnu/libgomp.so.1 (0x00007fb5e8b10000)
	libgcc_s.so.1 => /lib/x86_64-linux-gnu/libgcc_s.so.1 (0x00007fb5e8af5000)
	libquadmath.so.0 => /lib/x86_64-linux-gnu/libquadmath.so.0 (0x00007fb5e8aa9000)
	libc.so.6 => /lib/x86_64-linux-gnu/libc.so.6 (0x00007fb5e88b7000)
	/lib64/ld-linux-x86-64.so.2 (0x00007fb5eabeb000)
	libplumedKernel.so => not found
	librt.so.1 => /lib/x86_64-linux-gnu/librt.so.1 (0x00007fb5e88ac000)


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