[CP2K-user] [CP2K:18815] Minimal build of cp2k-2023.1 fails

Scott Milner stm9 at psu.edu
Tue May 16 02:10:40 UTC 2023

I am trying to build cp2k-2023.1 on x86-64 Linux architecture using 
(which is listed as working, see https://www.cp2k.org/dev:compiler_support).

I tried the absolute simplest build possible:
     install_cp2k_toolchain.sh --with-fftw --with-openblas --mpi-mode=no
which proceeded without errors (except that I had to download all the .b2z 
files for the packages by hand, because the certificates have expired -- 

But the compile failed:  after the obligatory
and copying the architecture files to where they need to go,
the make command
     make -j 32 ARCH=local VERSION=ssmp
generated errors:

In function `__message_passing_MOD_mp_abort':
/data1/group/SOFTWARE/cp2k-2023.1/src/mpiwrap/message_passing.F:1156: *undefined 
reference to `_gfortran_stop_numeric_f08'*
collect2: error: ld returned 1 exit status
make[3]: *** 
Error 1
make[2]: *** [all] Error 2
make[1]: *** [ssmp] Error 2
make: *** [all] Error 2

This is the most frustrating build I have dealt with in a long time.  I 
would much appreciate it if a knowledgeable CP2K-er can help build this app.

Scott Milner
Professor of Chemical Engineering
Penn State University

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