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CP2K compiling with GFortran
# the gcc version 4.8.5 mostly works, but fails for the plumed-part in CP2K (plumed itself compiles fine) # gcc version 9.1.1 fails (compiles but lots of CP2K unit tests fail, even with ''-O2 -g -mtune=generic'')

40 KB (5,827 words) - 12:03, 8 June 2020
CP2K compiling with Intel
...https://github.com/cp2k/libint-cp2k/releases/download/v2.6.0/libint-v2.6.0-cp2k-lmax-4.tgz ...https://github.com/cp2k/libint-cp2k/releases/download/v2.6.0/libint-v2.6.0-cp2k-lmax-5.tgz

10 KB (1,298 words) - 15:12, 11 June 2020

CP2K compiling with GFortran
# the gcc version 4.8.5 mostly works, but fails for the plumed-part in CP2K (plumed itself compiles fine) # gcc version 9.1.1 fails (compiles but lots of CP2K unit tests fail, even with ''-O2 -g -mtune=generic'')

40 KB (5,827 words) - 12:03, 8 June 2020
CP2K compiling with Intel
...https://github.com/cp2k/libint-cp2k/releases/download/v2.6.0/libint-v2.6.0-cp2k-lmax-4.tgz ...https://github.com/cp2k/libint-cp2k/releases/download/v2.6.0/libint-v2.6.0-cp2k-lmax-5.tgz

10 KB (1,298 words) - 15:12, 11 June 2020