Dear all, <div>When I install cp2k8.1 by toolchain and with QUIP（QUIP-1ff93b3400b83e804f0f2e857e70c5e4133d9705），</div><div>There is an error at making：</div><div><div>/opt/intel2020up2/compilers_and_libraries_2020.2.254/linux/mkl/lib/intel64/libmkl_blacs_openmpi_lp64.so：undefined reference to ‘MPI_Waitall’</div><div>/opt/intel2020up2/compilers_and_libraries_2020.2.254/linux/mkl/lib/intel64/libmkl_blacs_openmpi_lp64.so：undefined reference to ‘ompi_mpi_comm_null’</div><div>/opt/intel2020up2/compilers_and_libraries_2020.2.254/linux/mkl/lib/intel64/libmkl_blacs_openmpi_lp64.so：undefined reference to ‘MPI_Abort’</div><div>/opt/intel2020up2/compilers_and_libraries_2020.2.254/linux/mkl/lib/intel64/libmkl_blacs_openmpi_lp64.so：undefined reference to ‘MPI_Waitany’</div><div>/opt/intel2020up2/compilers_and_libraries_2020.2.254/linux/mkl/lib/intel64/libmkl_blacs_openmpi_lp64.so：undefined reference to ‘MPI_Comm_f2c’</div><div>/opt/intel2020up2/compilers_and_libraries_2020.2.254/linux/mkl/lib/intel64/libmkl_blacs_openmpi_lp64.so：undefined reference to ‘MPI_Wtime’</div><div>/opt/intel2020up2/compilers_and_libraries_2020.2.254/linux/mkl/lib/intel64/libmkl_blacs_openmpi_lp64.so：undefined reference to ‘MPI_Comm_dup’</div><div>/opt/intel2020up2/compilers_and_libraries_2020.2.254/linux/mkl/lib/intel64/libmkl_blacs_openmpi_lp64.so：undefined reference to ‘ompi_mpi_double’</div><div>/opt/intel2020up2/compilers_and_libraries_2020.2.254/linux/mkl/lib/intel64/libmkl_blacs_openmpi_lp64.so：undefined reference to ‘MPI_Op_free’</div><div>/opt/intel2020up2/compilers_and_libraries_2020.2.254/linux/mkl/lib/intel64/libmkl_blacs_openmpi_lp64.so：undefined reference to ‘MPI_Comm_create’</div><div>/opt/intel2020up2/compilers_and_libraries_2020.2.254/linux/mkl/lib/intel64/libmkl_blacs_openmpi_lp64.so：undefined reference to ‘MPI_Group_incl’</div><div>/opt/intel2020up2/compilers_and_libraries_2020.2.254/linux/mkl/lib/intel64/libmkl_blacs_openmpi_lp64.so：undefined reference to ‘MPI_Comm_get_attr’</div><div>/opt/intel2020up2/compilers_and_libraries_2020.2.254/linux/mkl/lib/intel64/libmkl_blacs_openmpi_lp64.so：undefined reference to ‘MPI_Attr_get’</div><div>/opt/intel2020up2/compilers_and_libraries_2020.2.254/linux/mkl/lib/intel64/libmkl_blacs_openmpi_lp64.so：undefined reference to ‘ompi_mpi_dblcplex’</div><div>/opt/intel2020up2/compilers_and_libraries_2020.2.254/linux/mkl/lib/intel64/libmkl_blacs_openmpi_lp64.so：undefined reference to ‘MPI_Init’</div><div>/opt/intel2020up2/compilers_and_libraries_2020.2.254/linux/mkl/lib/intel64/libmkl_blacs_openmpi_lp64.so：undefined reference to ‘MPI_Type_create_struct’</div><div>/opt/intel2020up2/compilers_and_libraries_2020.2.254/linux/mkl/lib/intel64/libmkl_blacs_openmpi_lp64.so：undefined reference to ‘MPI_Bcast’</div><div>/opt/intel2020up2/compilers_and_libraries_2020.2.254/linux/mkl/lib/intel64/libmkl_blacs_openmpi_lp64.so：undefined reference to ‘MPI_Alltoallv’</div><div>/opt/intel2020up2/compilers_and_libraries_2020.2.254/linux/mkl/lib/intel64/libmkl_blacs_openmpi_lp64.so：undefined reference to ‘MPI_Cart_create’</div><div>/opt/intel2020up2/compilers_and_libraries_2020.2.254/linux/mkl/lib/intel64/libmkl_blacs_openmpi_lp64.so：undefined reference to ‘MPI_Scatterv’</div><div>/opt/intel2020up2/compilers_and_libraries_2020.2.254/linux/mkl/lib/intel64/libmkl_blacs_openmpi_lp64.so：undefined reference to ‘MPI_Initialized’</div><div>/opt/intel2020up2/compilers_and_libraries_2020.2.254/linux/mkl/lib/intel64/libmkl_blacs_openmpi_lp64.so：undefined reference to ‘MPI_Type_free’</div><div>/opt/intel2020up2/compilers_and_libraries_2020.2.254/linux/mkl/lib/intel64/libmkl_blacs_openmpi_lp64.so：undefined reference to ‘MPI_Iprobe’</div><div>/opt/intel2020up2/compilers_and_libraries_2020.2.254/linux/mkl/lib/intel64/libmkl_blacs_openmpi_lp64.so：undefined reference to ‘MPI_Testall’</div><div>/opt/intel2020up2/compilers_and_libraries_2020.2.254/linux/mkl/lib/intel64/libmkl_blacs_openmpi_lp64.so：undefined reference to ‘MPI_Allgatherv’</div><div>/opt/intel2020up2/compilers_and_libraries_2020.2.254/linux/mkl/lib/intel64/libmkl_blacs_openmpi_lp64.so：undefined reference to ‘MPI_Comm_group’</div><div>/opt/intel2020up2/compilers_and_libraries_2020.2.254/linux/mkl/lib/intel64/libmkl_blacs_openmpi_lp64.so：undefined reference to ‘MPI_Cart_sub’</div><div>/opt/intel2020up2/compilers_and_libraries_2020.2.254/linux/mkl/lib/intel64/libmkl_blacs_openmpi_lp64.so：undefined reference to ‘MPI_Comm_split’</div><div>/opt/intel2020up2/compilers_and_libraries_2020.2.254/linux/mkl/lib/intel64/libmkl_blacs_openmpi_lp64.so：undefined reference to ‘MPI_Send’</div><div>/opt/intel2020up2/compilers_and_libraries_2020.2.254/linux/mkl/lib/intel64/libmkl_blacs_openmpi_lp64.so：undefined reference to ‘MPI_Allreduce’</div><div>/opt/intel2020up2/compilers_and_libraries_2020.2.254/linux/mkl/lib/intel64/libmkl_blacs_openmpi_lp64.so：undefined reference to ‘ompi_mpi_packed’</div><div>/opt/intel2020up2/compilers_and_libraries_2020.2.254/linux/mkl/lib/intel64/libmkl_blacs_openmpi_lp64.so：undefined reference to ‘ompi_mpi_op_max’</div><div>/opt/intel2020up2/compilers_and_libraries_2020.2.254/linux/mkl/lib/intel64/libmkl_blacs_openmpi_lp64.so：undefined reference to ‘ompi_mpi_op_maxloc’</div><div>/opt/intel2020up2/compilers_and_libraries_2020.2.254/linux/mkl/lib/intel64/libmkl_blacs_openmpi_lp64.so：undefined reference to ‘ompi_mpi_op_min’</div><div>/opt/intel2020up2/compilers_and_libraries_2020.2.254/linux/mkl/lib/intel64/libmkl_blacs_openmpi_lp64.so：undefined reference to ‘MPI_Rsend’</div><div>/opt/intel2020up2/compilers_and_libraries_2020.2.254/linux/mkl/lib/intel64/libmkl_blacs_openmpi_lp64.so：undefined reference to ‘ompi_mpi_byte’</div><div>/opt/intel2020up2/compilers_and_libraries_2020.2.254/linux/mkl/lib/intel64/libmkl_blacs_openmpi_lp64.so：undefined reference to ‘MPI_Irecv’</div><div>/opt/intel2020up2/compilers_and_libraries_2020.2.254/linux/mkl/lib/intel64/libmkl_blacs_openmpi_lp64.so：undefined reference to ‘MPI_Type_contiguous’</div><div>/opt/intel2020up2/compilers_and_libraries_2020.2.254/linux/mkl/lib/intel64/libmkl_blacs_openmpi_lp64.so：undefined reference to ‘MPI_Recv’</div><div>/opt/intel2020up2/compilers_and_libraries_2020.2.254/linux/mkl/lib/intel64/libmkl_blacs_openmpi_lp64.so：undefined reference to ‘MPI_Comm_free’</div><div>/opt/intel2020up2/compilers_and_libraries_2020.2.254/linux/mkl/lib/intel64/libmkl_blacs_openmpi_lp64.so：undefined reference to ‘ompi_mpi_comm_world’</div><div>/opt/intel2020up2/compilers_and_libraries_2020.2.254/linux/mkl/lib/intel64/libmkl_blacs_openmpi_lp64.so：undefined reference to ‘MPI_Comm_compare’</div><div>/opt/intel2020up2/compilers_and_libraries_2020.2.254/linux/mkl/lib/intel64/libmkl_blacs_openmpi_lp64.so：undefined reference to ‘ompi_mpi_float’</div><div>/opt/intel2020up2/compilers_and_libraries_2020.2.254/linux/mkl/lib/intel64/libmkl_blacs_openmpi_lp64.so：undefined reference to ‘MPI_Reduce’</div><div>/opt/intel2020up2/compilers_and_libraries_2020.2.254/linux/mkl/lib/intel64/libmkl_blacs_openmpi_lp64.so：undefined reference to ‘MPI_Pack’</div><div>/opt/intel2020up2/compilers_and_libraries_2020.2.254/linux/mkl/lib/intel64/libmkl_blacs_openmpi_lp64.so：undefined reference to ‘ompi_request_null’</div><div>/opt/intel2020up2/compilers_and_libraries_2020.2.254/linux/mkl/lib/intel64/libmkl_blacs_openmpi_lp64.so：undefined reference to ‘ompi_mpi_cplex’</div><div>/opt/intel2020up2/compilers_and_libraries_2020.2.254/linux/mkl/lib/intel64/libmkl_blacs_openmpi_lp64.so：undefined reference to ‘ompi_mpi_unsigned_short’</div><div>/opt/intel2020up2/compilers_and_libraries_2020.2.254/linux/mkl/lib/intel64/libmkl_blacs_openmpi_lp64.so：undefined reference to ‘MPI_Comm_c2f’</div><div>/opt/intel2020up2/compilers_and_libraries_2020.2.254/linux/mkl/lib/intel64/libmkl_blacs_openmpi_lp64.so：undefined reference to ‘MPI_Gatherv’</div><div>/opt/intel2020up2/compilers_and_libraries_2020.2.254/linux/mkl/lib/intel64/libmkl_blacs_openmpi_lp64.so：undefined reference to ‘MPI_Get_address’</div><div>/opt/intel2020up2/compilers_and_libraries_2020.2.254/linux/mkl/lib/intel64/libmkl_blacs_openmpi_lp64.so：undefined reference to ‘MPI_Wait’</div><div>/opt/intel2020up2/compilers_and_libraries_2020.2.254/linux/mkl/lib/intel64/libmkl_blacs_openmpi_lp64.so：undefined reference to ‘MPI_Allgather’</div><div>/opt/intel2020up2/compilers_and_libraries_2020.2.254/linux/mkl/lib/intel64/libmkl_blacs_openmpi_lp64.so：undefined reference to ‘ompi_mpi_double_int’</div><div>/opt/intel2020up2/compilers_and_libraries_2020.2.254/linux/mkl/lib/intel64/libmkl_blacs_openmpi_lp64.so：undefined reference to ‘MPI_Op_create’</div><div>/opt/intel2020up2/compilers_and_libraries_2020.2.254/linux/mkl/lib/intel64/libmkl_blacs_openmpi_lp64.so：undefined reference to ‘ompi_mpi_int’</div><div>/opt/intel2020up2/compilers_and_libraries_2020.2.254/linux/mkl/lib/intel64/libmkl_blacs_openmpi_lp64.so：undefined reference to ‘MPI_Pack_size’</div><div>/opt/intel2020up2/compilers_and_libraries_2020.2.254/linux/mkl/lib/intel64/libmkl_blacs_openmpi_lp64.so：undefined reference to ‘ompi_mpi_long_long_int’</div><div>/opt/intel2020up2/compilers_and_libraries_2020.2.254/linux/mkl/lib/intel64/libmkl_blacs_openmpi_lp64.so：undefined reference to ‘MPI_Unpack’</div><div>/opt/intel2020up2/compilers_and_libraries_2020.2.254/linux/mkl/lib/intel64/libmkl_blacs_openmpi_lp64.so：undefined reference to ‘ompi_mpi_integer’</div><div>/opt/intel2020up2/compilers_and_libraries_2020.2.254/linux/mkl/lib/intel64/libmkl_blacs_openmpi_lp64.so：undefined reference to ‘MPI_Test’</div><div>/opt/intel2020up2/compilers_and_libraries_2020.2.254/linux/mkl/lib/intel64/libmkl_blacs_openmpi_lp64.so：undefined reference to ‘ompi_mpi_dblprec’</div><div>/opt/intel2020up2/compilers_and_libraries_2020.2.254/linux/mkl/lib/intel64/libmkl_blacs_openmpi_lp64.so：undefined reference to ‘MPI_Isend’</div><div>/opt/intel2020up2/compilers_and_libraries_2020.2.254/linux/mkl/lib/intel64/libmkl_blacs_openmpi_lp64.so：undefined reference to ‘MPI_Type_f2c’</div><div>/opt/intel2020up2/compilers_and_libraries_2020.2.254/linux/mkl/lib/intel64/libmkl_blacs_openmpi_lp64.so：undefined reference to ‘MPI_Op_f2c’</div><div>/opt/intel2020up2/compilers_and_libraries_2020.2.254/linux/mkl/lib/intel64/libmkl_blacs_openmpi_lp64.so：undefined reference to ‘MPI_Type_vector’</div><div>/opt/intel2020up2/compilers_and_libraries_2020.2.254/linux/mkl/lib/intel64/libmkl_blacs_openmpi_lp64.so：undefined reference to ‘MPI_Alltoall’</div><div>/opt/intel2020up2/compilers_and_libraries_2020.2.254/linux/mkl/lib/intel64/libmkl_blacs_openmpi_lp64.so：undefined reference to ‘MPI_Finalize’</div><div>/opt/intel2020up2/compilers_and_libraries_2020.2.254/linux/mkl/lib/intel64/libmkl_blacs_openmpi_lp64.so：undefined reference to ‘MPI_Sendrecv’</div><div>/opt/intel2020up2/compilers_and_libraries_2020.2.254/linux/mkl/lib/intel64/libmkl_blacs_openmpi_lp64.so：undefined reference to ‘ompi_mpi_op_sum’</div><div>/opt/intel2020up2/compilers_and_libraries_2020.2.254/linux/mkl/lib/intel64/libmkl_blacs_openmpi_lp64.so：undefined reference to ‘MPI_Op_c2f’</div><div>/opt/intel2020up2/compilers_and_libraries_2020.2.254/linux/mkl/lib/intel64/libmkl_blacs_openmpi_lp64.so：undefined reference to ‘MPI_Comm_size’</div><div>/opt/intel2020up2/compilers_and_libraries_2020.2.254/linux/mkl/lib/intel64/libmkl_blacs_openmpi_lp64.so：undefined reference to ‘ompi_mpi_real’</div><div>/opt/intel2020up2/compilers_and_libraries_2020.2.254/linux/mkl/lib/intel64/libmkl_blacs_openmpi_lp64.so：undefined reference to ‘MPI_Group_free’</div><div>/opt/intel2020up2/compilers_and_libraries_2020.2.254/linux/mkl/lib/intel64/libmkl_blacs_openmpi_lp64.so：undefined reference to ‘MPI_Type_indexed’</div><div>/opt/intel2020up2/compilers_and_libraries_2020.2.254/linux/mkl/lib/intel64/libmkl_blacs_openmpi_lp64.so：undefined reference to ‘MPI_Barrier’</div><div>/opt/intel2020up2/compilers_and_libraries_2020.2.254/linux/mkl/lib/intel64/libmkl_blacs_openmpi_lp64.so：undefined reference to ‘MPI_Type_commit’</div><div>/opt/intel2020up2/compilers_and_libraries_2020.2.254/linux/mkl/lib/intel64/libmkl_blacs_openmpi_lp64.so：undefined reference to ‘MPI_Type_c2f’</div><div>/opt/intel2020up2/compilers_and_libraries_2020.2.254/linux/mkl/lib/intel64/libmkl_blacs_openmpi_lp64.so：undefined reference to ‘MPI_Comm_rank’</div></div><div><br></div><div>Could you give me some advice?</div><div>Thank you!</div><div><br></div>