Dear users, I am trying to run pw.x in a cluster (centos) that requires loading three modules: intel, impi, and quantum-espresso. Now, I am getting an error saying: `pw.x: error while loading shared libraries: libfftw3.so.3: cannot open shared object file: No such file or directory`. According to the instruction I find in QE troubleshooting guide, I added the `export LD_LIBRARY_PATH=/lib64:"$LD_LIBRARY_PATH"` line in my script because libfftw3.so.3 exists in `/lib64/`. However, it still gives the same error. So, I ran a `ldd pw.x` command to check what happened, and I saw that: ... (truncated ) libmkl_scalapack_ilp64.so => /opt/intel/compilers_and_libraries_2019.4.243/linux/mkl/lib/intel64_lin/libmkl_scalapack_ilp64.so (0x00007fe15c6ea000) libfftw3.so.3 => Not found ... (truncated)
That means only libfftw3.so.3 is not linked. When I checked the value of $LD_LIBRARY_PATH, it successfully added the `/lib64` part but still I get the same error. What could be the reason for this error? Do I need to recompile QE? The version of QE running is 6.4.1. Thanks. Sincerely, Abdul Muhaymin Undergraduate – Bilkent University
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