CP2K version 8.1
 Source code revision git:0b61f2f
 cp2kflags: omp libint fftw3 libxc elpa parallel mpi3 scalapack xsmm plumed2 spglib sirius libvori libbqb
 compiler: GCC version 8.5.0
 compiler options:
   -cpp -I /home/yao/PROGRAM/cp2k-8.1/tools/toolchain/install/openmpi-4
   .0.5/include -I /home/yao/PROGRAM/cp2k-8.1/tools/toolchain/install/o
   penblas-0.3.10/include -I /home/yao/PROGRAM/cp2k-8.1/tools/toolchain
   /install/fftw-3.3.8/include -I /home/yao/PROGRAM/cp2k-8.1/tools/tool
   chain/install/libint-v2.6.0-cp2k-lmax-5/include -I /home/yao/PROGRAM
   /cp2k-8.1/tools/toolchain/install/libxc-4.3.4/include -I /home/yao/P
   ROGRAM/cp2k-8.1/tools/toolchain/install/libxsmm-1.16.1/include -I /h
   ome/yao/PROGRAM/cp2k-8.1/tools/toolchain/install/cosma-2.2.0/include
    -I /home/yao/PROGRAM/cp2k-8.1/tools/toolchain/install/elpa-2020.05.
   001/include/elpa_openmp-2020.05.001/modules -I /home/yao/PROGRAM/cp2
   k-8.1/tools/toolchain/install/elpa-2020.05.001/include/elpa_openmp-2
   020.05.001/elpa -I /home/yao/PROGRAM/cp2k-8.1/tools/toolchain/instal
   l/gsl-2.6/include -I /home/yao/PROGRAM/cp2k-8.1/tools/toolchain/inst
   all/hdf5-1.12.0/include -I /home/yao/PROGRAM/cp2k-8.1/tools/toolchai
   n/install/libvdwxc-0.4.0/include -I /home/yao/PROGRAM/cp2k-8.1/tools
   /toolchain/install/spglib-1.16.0/include -I /home/yao/PROGRAM/cp2k-8
   .1/tools/toolchain/install/SpFFT-0.9.13/include -I /home/yao/PROGRAM
   /cp2k-8.1/tools/toolchain/install/sirius-7.0.0/include -I /home/yao/
   PROGRAM/cp2k-8.1/src/start/ -I /home/yao/PROGRAM/cp2k-8.1/obj/local/
   psmp/exts/dbcsr -I /home/yao/PROGRAM/cp2k-8.1/tools/toolchain/instal
   l/openmpi-4.0.5/include -I /home/yao/PROGRAM/cp2k-8.1/tools/toolchai
   n/install/openmpi-4.0.5/lib -imultiarch x86_64-linux-gnu -D_REENTRAN
   T -D __LIBXSMM -D __parallel -D __FFTW3 -D __LIBINT -D __LIBXC -D __
   SCALAPACK -D __COSMA -D __ELPA -D __PLUMED2 -D __GSL -D __HDF5 -D __
   LIBVDWXC -D __SPGLIB -D __LIBVORI -D __SPFFT -D __SIRIUS -D __COMPIL
   E_ARCH="local" -D __COMPILE_DATE="Thu Dec  2 12:48:41 JST 2021" -D _
   _COMPILE_HOST="bremen01" -D __COMPILE_REVISION="git:0b61f2f" -D __DA
   TA_DIR="/home/yao/PROGRAM/cp2k-8.1/data" -D __SHORT_FILE__="start/cp
   2k.F" -march=skylake -mmmx -mno-3dnow -msse -msse2 -msse3 -mssse3 -m
   no-sse4a -mcx16 -msahf -mmovbe -maes -mno-sha -mpclmul -mpopcnt -mab
   m -mno-lwp -mfma -mno-fma4 -mno-xop -mbmi -msgx -mbmi2 -mno-pconfig 
   -mno-wbnoinvd -mno-tbm -mavx -mavx2 -msse4.2 -msse4.1 -mlzcnt -mrtm 
   -mhle -mrdrnd -mf16c -mfsgsbase -mrdseed -mprfchw -madx -mfxsr -mxsa
   ve -mxsaveopt -mno-avx512f -mno-avx512er -mno-avx512cd -mno-avx512pf
    -mno-prefetchwt1 -mclflushopt -mxsavec -mxsaves -mno-avx512dq -mno-
   avx512bw -mno-avx512vl -mno-avx512ifma -mno-avx512vbmi -mno-avx5124f
   maps -mno-avx5124vnniw -mno-clwb -mno-mwaitx -mno-clzero -mno-pku -m
   no-rdpid -mno-gfni -mno-shstk -mno-avx512vbmi2 -mno-avx512vnni -mno-
   vaes -mno-vpclmulqdq -mno-avx512bitalg -mno-avx512vpopcntdq -mno-mov
   diri -mno-movdir64b --param l1-cache-size=32 --param l1-cache-line-s
   ize=64 --param l2-cache-size=8192 -mtune=skylake -g -O3 -Werror=alia
   sing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shad
   ow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werr
   or=target-lifetime -Werror=underflow -Werror=unused-but-set-variable
    -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conve
   rsion -Werror=zerotrip -Wno-maybe-uninitialized -Wuninitialized -Wus
   e-without-only -std=f2008 -fno-omit-frame-pointer -funroll-loops -fo
   penmp -fbacktrace -ffree-form -fimplicit-none