[CP2K-user] Compiling problems libfftw3_threads

Luis Fernandez Menchero luis... at gmail.com
Fri Jul 2 09:33:16 UTC 2021

  Hello all,

I am trying to compile cp2k in our HPC cluster, Kelvin2


The architecture is AMD-64, with Infiniband connection. I am using to 
compile the gcc version 9.3.0, with OpenMPI 4.0.4. We do not use 
multi-thread OMP.

I have installed all the toolchain and dependencies, and I have selected 
the architecture file 
I think this is the one that adjust the best to our architecture. I 
modified the file to get the paths of the dependencies in our cluster.

I receive the following error during the installation:

gfortran: error: 
No such file or directory
make[3]: *** 
Error 1
make[2]: *** [all] Error 2
make[1]: *** [psmp] Error 2
make: *** [all] Error 2

I think it is not choosing properly the fftw3 library, it should not chose 
the threaded option.
Should I select a different architecture file?
Should I set any flag?

I attach the step-by-step description of the process, the complete error 
output, the modified architecture file, and the Makefile.

Thanks for your help.

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