Re: [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 (0x7fe15c6ea000)


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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country and on the free and peaceful scientific, cultural,
and economic cooperation amongst peoples
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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
___
The Quantum ESPRESSO community stands by the Ukrainian
people and expresses its concerns about the devastating
effects that the Russian military offensive has on their
country and on the free and peaceful scientific, cultural,
and economic cooperation amongst peoples
___
Quantum ESPRESSO is supported by MaX (www.max-centre.eu)
users mailing list users@lists.quantum-espresso.org
https://lists.quantum-espresso.org/mailman/listinfo/users

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

[Abdul Muhaymin via users]

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
 (0x7fe15c6ea000)
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

___
The Quantum ESPRESSO community stands by the Ukrainian
people and expresses its concerns about the devastating
effects that the Russian military offensive has on their
country and on the free and peaceful scientific, cultural,
and economic cooperation amongst peoples
___
Quantum ESPRESSO is supported by MaX (www.max-centre.eu)
users mailing list users@lists.quantum-espresso.org
https://lists.quantum-espresso.org/mailman/listinfo/users