[CP2K-user] [External] [CP2K:21823] Re: Unusable FFTW?

Sheppard, Raymond W rsheppar at iu.edu
Thu Sep 11 07:24:52 UTC 2025


FYI,  My build command and loaded modules are below in case that helps.   ELPA did not want to link to the Cray libsci libraries, So I just turned it off after fighting with it for awhile.  It also did not like our CMake version 4.1.0 (thought it was too old?) So I let it build its own..
  Ray again

cat build_toolchain.bash
./install_cp2k_toolchain.sh --with-mpich=system --with-cmake  --enable-cray --math-mode=cray  --with-hdf5=system  --with-gcc=system  --with-fftw=system  --with-elpa=no

[rsheppar at login2:26 toolchain]$ module list

Currently Loaded Modules:
  1) craype-x86-rome                   7) cray-dsmml/0.3.1       13) cray-hdf5/1.14.3.5
  2) craype-network-ucx                8) cray-ucx/1.14.0        14) cray-fftw/3.3.10.10
  3) perftools-base/25.03.0            9) cray-mpich-ucx/8.1.32  15) cmake/4.1.0
  4) xpmem/0.2.119-1.3_gef379be13330  10) cray-libsci/25.03.0    16) openblas/0.3.26
  5) gcc-native/14.2                  11) PrgEnv-gnu/8.6.0
  6) craype/2.7.34                    12) quota/1.9




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Subject: [External] [CP2K:21823] Re: Unusable FFTW?

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Hello Raymond,

Could you share config.log?

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