[QE-users] error while loading shared libraries: libfftw3.so.3: cannot open shared object file: No such file or directory

[Paolo Giannozzi]

1. It's not  a problem of QE but of your machine
2. If you have MKL you should use the DFTI FFT libraries

Paolo

On 3/8/23 23:56, Abdul Muhaymin via users wrote:
> 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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-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222