[CP2K-user] Compiler Errors - make (archs from installer) terminates

[Sean Bradley]

I am attempting to install CP2K for the first time on an AMD EPYC system. 
After installing the AMD optimized libraries and other prerequisites, I run 
the CP2K installer script, leaving out components that have problems, and 
it generated the arch files. When I try to run the make command, it 
terminates with a set of errors and no description of what the problem is. 
I searched around in the cp2k folders and could not find any logs with more 
details. The last make.log file updated does not appear to have a problem. 
Below is some of the process/output. 

Where can more information be found about the cause of the problem or how 
to resolve? 


Toolchain Installer Command: 

./install_cp2k_toolchain.sh --with-fftw=system --with-scalapack=system 
--with-cmake=system --with-acml=no --with-mpich=no --with-mkl=no 
--with-openblas=no --with-spfft=no --with-sirius=no --with-elpa=no 
--with-libvdwxc=no


Toolchain Installer Output (replaced arch folder contents with files 
below): 

==================== generating arch files ====================
arch files can be found in the 
/home/cp2kuser/Downloads/cp2k/tools/toolchain/install/arch subdirectory
Wrote /home/cp2kuser/Downloads/cp2k/tools/toolchain/install/arch/local.sopt
Wrote /home/cp2kuser/Downloads/cp2k/tools/toolchain/install/arch/local.sdbg
Wrote /home/cp2kuser/Downloads/cp2k/tools/toolchain/install/arch/local.ssmp
Wrote /home/cp2kuser/Downloads/cp2k/tools/toolchain/install/arch/local.popt
Wrote /home/cp2kuser/Downloads/cp2k/tools/toolchain/install/arch/local.pdbg
Wrote /home/cp2kuser/Downloads/cp2k/tools/toolchain/install/arch/local.psmp
Wrote 
/home/cp2kuser/Downloads/cp2k/tools/toolchain/install/arch/local_warn.psmp
Wrote 
/home/cp2kuser/Downloads/cp2k/tools/toolchain/install/arch/local_coverage.sdbg
Wrote 
/home/cp2kuser/Downloads/cp2k/tools/toolchain/install/arch/local_coverage.pdbg
========================== usage =========================
Done!
Now copy:
  cp /home/cp2kuser/Downloads/cp2k/tools/toolchain/install/arch/* to the 
cp2k/arch/ directory
To use the installed tools and libraries and cp2k version
compiled with it you will first need to execute at the prompt:
  source /home/cp2kuser/Downloads/cp2k/tools/toolchain/install/setup
To build CP2K you should change directory:
  cd cp2k/
  make -j 128 ARCH=local VERSION="sopt sdbg ssmp popt pdbg psmp"


make Command: 

make -j 128 ARCH=local VERSION="sopt sdbg ssmp popt pdbg psmp"


make (final & error) Output: 

gfortran -c -march=native -fno-omit-frame-pointer -g  -O1      
-I'/home/cp2kuser/Downloads/cp2k/tools/toolchain/install/libint-v2.6.0-cp2k-lmax-5/include' 
-I'/home/cp2kuser/Downloads/cp2k/tools/toolchain/install/libxc-4.3.4/include' 
-I'/home/cp2kuser/Downloads/cp2k/tools/toolchain/install/libxsmm-1.14/include' 
-I'/home/cp2kuser/Downloads/cp2k/tools/toolchain/install/gsl-2.5/include' 
-I/home/cp2kuser/Downloads/cp2k/tools/toolchain/install/spglib-1.12.2/include 
-I/home/cp2kuser/Downloads/cp2k/tools/toolchain/install/hdf5-1.10.4/include 
-ffree-form -std=f2008 -fimplicit-none -fsanitize=leak -fcheck=all 
-ffpe-trap=invalid,zero,overflow -finit-derived -finit-real=snan 
-finit-integer=-42 -Werror=realloc-lhs -finline-matmul-limit=0 
-Werror=aliasing -Werror=ampersand -Werror=c-binding-type 
-Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation 
-Werror=tabs -Werror=target-lifetime -Werror=underflow 
-Werror=unused-but-set-variable -Werror=unused-variable 
-Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip 
-Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only  
-D__LIBXSMM   -D__FFTW3  -D__LIBINT -D__LIBXC   -D__SPGLIB  
-D__HAS_IEEE_EXCEPTIONS -D__CHECK_DIAG  -D__COMPILE_ARCH="\"local\"" 
-D__COMPILE_DATE="\"Thu Oct 22 10:33:02 PDT 2020\"" 
-D__COMPILE_HOST="\"amdtest\"" -D__COMPILE_REVISION="\"git:e635599\"" 
-D__DATA_DIR="\"/home/cp2kuser/Downloads/cp2k/data\"" 
-D__SHORT_FILE__="\"eri_mme/eri_mme_lattice_summation.F\"" 
-I'/home/cp2kuser/Downloads/cp2k/src/eri_mme/' 
-I'/home/cp2kuser/Downloads/cp2k/obj/local/sdbg/exts/dbcsr' 
eri_mme_lattice_summation.F90 
make[2]: *** [all] Error 2
make[1]: *** [pdbg] Error 2
make[1]: *** Waiting for unfinished jobs....
make[2]: *** [all] Error 2
make[1]: *** [sdbg] Error 2
make[2]: *** [all] Error 2
make[1]: *** [sopt] Error 2
make[2]: *** [all] Error 2
make[1]: *** [popt] Error 2
make[2]: *** [all] Error 2
make[1]: *** [ssmp] Error 2
make[2]: *** [all] Error 2
make[1]: *** [psmp] Error 2
make: *** [all] Error 2


Last updated make.log file: 

$ tail ./tools/toolchain/build/hdf5-1.10.4/make.log
  CCLD     h5watch
make[3]: Leaving directory 
`/home/cp2kuser/Downloads/cp2k/tools/toolchain/build/hdf5-1.10.4/hl/tools/h5watch'
make[3]: Entering directory 
`/home/cp2kuser/Downloads/cp2k/tools/toolchain/build/hdf5-1.10.4/hl/tools'
make[3]: Nothing to be done for `all-am'.
make[3]: Leaving directory 
`/home/cp2kuser/Downloads/cp2k/tools/toolchain/build/hdf5-1.10.4/hl/tools'
make[2]: Leaving directory 
`/home/cp2kuser/Downloads/cp2k/tools/toolchain/build/hdf5-1.10.4/hl/tools'
make[2]: Entering directory 
`/home/cp2kuser/Downloads/cp2k/tools/toolchain/build/hdf5-1.10.4/hl'
make[2]: Nothing to be done for `all-am'.
make[2]: Leaving directory 
`/home/cp2kuser/Downloads/cp2k/tools/toolchain/build/hdf5-1.10.4/hl'
make[1]: Leaving directory 
`/home/cp2kuser/Downloads/cp2k/tools/toolchain/build/hdf5-1.10.4/hl'
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