[CP2K-user] [CP2K:16781] Intel compiler compilation help (missing std=gnu99, qopenmp)

zc62 chenzh1993 at gmail.com
Mon Mar 28 20:47:17 UTC 2022


I am using intel compiler 19.1.3 to compile CP2K, while a few things indeed 
confuse me. AFAIK, intel compilers default to std=gnu89 and OpenMP is not 
enabled by default, thus requires those options being turn on manually 
(-std=gnu99, -qopenmp). However, I do not see the toolchain script provide 
such flags to compilers, thus making the compilation fail.

One especially interesting thing is, because some libxc C codes use gnu99 
code style that breaks icc std=gnu89 compilation, no libxc library is 
generated, however, the toolchain script thinks "libxc installation 
successful, continue".

This not only affects library compilations, but also affects the arch files 
generated. Lacking "-std=gnu99 -qopenmp" makes a lot of CP2K code 
compilation failure.

Am I missing something? Is there a way to set initial CFLAGS/FCFLAGS that 
the toolchain script must append to?

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