[CP2K-user] [CP2K:17014] could not find the libgfortran.so.5 when running cp2k-8.1 with mpirun

[yueda wang]

Dear members,

I used toolchain to build cp2k-8.1, the whole building process was well-off 
and the testing was successful. However, when I used the command like this 
"mpirun -n 24 cp2k.popt cp2k.inp 1>cp2k.out 2>cp2k.err", the process was 
stopped and the error information was
"cp2k.popt: error while loading shared libraries: libgfortran.so.5: cannot 
open shared object file: No such file or directory". Both popt and psmp 
version were faced to the same error information above. This 
libgfortran.so.5 file was found in the /lib64 directory via the "ldd 
cp2k.popt" command, and I tried to add this path in my bashrc with the 
sentence "export LD_LIBRARY_PATH=/lib64:$LD_LIBRARY_PATH" and source 
~/.bashrc again but it still does not work. So how to solve this problem 
properly?

The relevant files and pictures were in the attachment including the 
testing summary, error information, bashrc settings, setup file. And my 
system was CentOS 7, the gcc, g++, gfortran were updated to 9.3.1 version.[image: 
test-summary.png][image: bashrc.png][image: popt-err.png][image: 
psmp-err.png]

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