[Pw_forum] The is an error when run the example.

[于海林]

Dear all,


There is an error when I run the example02. The error message as shown below.


[root at yhl-192 example02]# ./run_example
/opt/software/espresso-5.1/PW/examples/example02 : starting
This example shows how to use pw.x to compute the equilibrium geometry
of a simple molecule, CO, and of an Al (001) slab.
In the latter case the relaxation is performed in two ways:
1) using the quasi-Newton BFGS algorithm
2) using a damped dynamics algorithm.
  executables directory: /opt/software/espresso-5.1/bin
  pseudo directory:      /opt/software/espresso-5.1/pseudo
  temporary directory:   /opt/software/espresso-5.1/tempdir
  checking that needed directories and files exist...
Downloading O.pz-rrkjus.UPF to /opt/software/espresso-5.1/pseudo...
Downloading C.pz-rrkjus.UPF to /opt/software/espresso-5.1/pseudo... done
  running pw.x as:   /opt/software/espresso-5.1/bin/pw.x  -nk 1 -nd 1 -nb 1 -nt 1
  running the geometry relaxation for CO.../opt/software/espresso-5.1/bin/pw.x: error while loading shared libraries: libmkl_intel_lp64.so: cannot open shared object file: No such file or directory
Error condition encountered during test: exit status = 127
Aborting


But when I run my calculation work, it runs well.  Anyone can tell me what is wrong? Thanks in advance!


Best Regards!
Yu Hailin


College of Physics & Electronic Enginerring,
Changshu Institute of Technology
China

 



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