新安装的CP2K2026.1，运行时出现了libcp2k.so.2026.1未找到的错误

牧生

近几日在一台机子上装了CP2K2026.1，也做过source /home/jing/software/cp2k-2026.1/tools/toolchain/install/setup，安装过程一切正常，在bashrc中加入了以下的内容

export PATH=$PATH:/home/jing/software/cp2k-2026.1/exe/bin
export LD_LIBRARY_PATH=$LD_LIBRARY_PATH:/home/jing/software/cp2k-2026.1/exe/lib64
alias cp2k='mpirun -np 6 -x OMP_NUM_THREADS=1 cp2k.psmp'

但是在运行时出现了以下的问题

(base) [jing@Jing ~]$ cp2k
cp2k.psmp: error while loading shared libraries: libcp2k.so.2026.1: cannot open shared object file: No such file or directory
cp2k.psmp: error while loading shared libraries: libcp2k.so.2026.1: cannot open shared object file: No such file or directory
cp2k.psmp: error while loading shared libraries: libcp2k.so.2026.1: cannot open shared object file: No such file or directory
cp2k.psmp: error while loading shared libraries: libcp2k.so.2026.1: cannot open shared object file: No such file or directory
cp2k.psmp: error while loading shared libraries: libcp2k.so.2026.1: cannot open shared object file: No such file or directory
--------------------------------------------------------------------------
prterun detected that one or more processes exited with non-zero status,
thus causing the job to be terminated. The first process to do so was:

   Process name: [prterun-jing-13905@1,0]
   Exit code:    127




自己找了一遍，有libcp2k.so.2026.1
(base) [jing@jing ~]$ sudo find / -name "libcp2k.so.2026.1" 2>/dev/null
[sudo] password for jing:
/home/jing/software/cp2k-2026.1/build/src/libcp2k.so.2026.1
/home/jing/software/cp2k-2026.1/exe/lib64/libcp2k.so.2026.1
/usr/local/lib/libcp2k.so.2026.1
/usr/local/lib64/libcp2k.so.2026.1


但是在ldd中发现有很多 not found

[jing@jing ~]$ ldd /home/jing/software/cp2k-2026.1/exe/bin/cp2k.psmp
        linux-vdso.so.1 (0x00007ffe62759000)
        libcp2k.so.2026.1 => not found
        libmkl_intel_lp64.so.2 => /home/jing/intel/oneapi/mkl/2025.2/lib/libmkl_intel_lp64.so.2 (0x00001463e8e00000)
        libmkl_gf_lp64.so.2 => /home/jing/intel/oneapi/mkl/2025.2/lib/libmkl_gf_lp64.so.2 (0x00001463e8000000)
        libmkl_sequential.so.2 => /home/jing/intel/oneapi/mkl/2025.2/lib/libmkl_sequential.so.2 (0x00001463e6a00000)
        libmkl_core.so.2 => /home/jing/intel/oneapi/mkl/2025.2/lib/libmkl_core.so.2 (0x00001463e2800000)
        libelpa_openmp.so.19 => not found
        libplumed.so => not found
        libmkl_gnu_thread.so.2 => /home/jing/intel/oneapi/mkl/2025.2/lib/libmkl_gnu_thread.so.2 (0x00001463e0e00000)
        libhdf5_fortran.so.310 => not found
        libhdf5_f90cstub.so.310 => not found
        libhdf5.so.310 => not found
        libxsmm.so.1 => not found
        libm.so.6 => /lib64/libm.so.6 (0x00001463e9e37000)
        libmkl_scalapack_lp64.so.2 => /home/jing/intel/oneapi/mkl/2025.2/lib/libmkl_scalapack_lp64.so.2 (0x00001463e0600000)
        libmkl_blacs_openmpi_lp64.so.2 => /home/jing/intel/oneapi/mkl/2025.2/lib/libmkl_blacs_openmpi_lp64.so.2 (0x00001463e9df6000)
        libmpi_usempif08.so.40 => /home/jing/software/cp2k-2026.1/tools/toolchain/install/openmpi-5.0.9/lib/libmpi_usempif08.so.40 (0x00001463e9dbe000)
        libmpi_usempi_ignore_tkr.so.40 => /home/jing/software/cp2k-2026.1/tools/toolchain/install/openmpi-5.0.9/lib/libmpi_usempi_ignore_tkr.so.40 (0x00001463e9db1000)
        libmpi_mpifh.so.40 => /home/jing/software/cp2k-2026.1/tools/toolchain/install/openmpi-5.0.9/lib/libmpi_mpifh.so.40 (0x00001463e9d4a000)
        libmpi.so.40 => /home/jing/software/cp2k-2026.1/tools/toolchain/install/openmpi-5.0.9/lib/libmpi.so.40 (0x00001463e0200000)
        libgomp.so.1 => /lib64/libgomp.so.1 (0x00001463e8dba000)
        libxsmmf.so.1 => not found
        libxsmmext.so.1 => not found
        libgfortran.so.5 => /lib64/libgfortran.so.5 (0x00001463dfe00000)
        libquadmath.so.0 => /lib64/libquadmath.so.0 (0x00001463e8d70000)
        libstdc++.so.6 => /lib64/libstdc++.so.6 (0x00001463dfa00000)
        libc.so.6 => /lib64/libc.so.6 (0x00001463df600000)
        libgcc_s.so.1 => /lib64/libgcc_s.so.1 (0x00001463e8d53000)
        libdl.so.2 => /lib64/libdl.so.2 (0x00001463e9d41000)
        libpthread.so.0 => /lib64/libpthread.so.0 (0x00001463e8d4e000)
        /lib64/ld-linux-x86-64.so.2 (0x00001463e9f2c000)
        libopen-pal.so.80 => /home/jing/software/cp2k-2026.1/tools/toolchain/install/openmpi-5.0.9/lib/libopen-pal.so.80 (0x00001463e693f000)
        libpmix.so.2 => /home/jing/software/cp2k-2026.1/tools/toolchain/install/openmpi-5.0.9/lib/libpmix.so.2 (0x00001463df200000)
        libz.so.1 => /lib64/libz.so.1 (0x00001463e8d34000)
        libevent_core-2.1.so.7 => /home/jing/software/cp2k-2026.1/tools/toolchain/install/openmpi-5.0.9/lib/libevent_core-2.1.so.7 (0x00001463e8cfd000)
        libevent_pthreads-2.1.so.7 => /home/jing/software/cp2k-2026.1/tools/toolchain/install/openmpi-5.0.9/lib/libevent_pthreads-2.1.so.7 (0x00001463e8cf8000)
        libhwloc.so.15 => /home/jing/software/cp2k-2026.1/tools/toolchain/install/openmpi-5.0.9/lib/libhwloc.so.15 (0x00001463e68e5000)




目前我仍未能解决这个问题，请问该怎么办