Compilation errors of cp2k 2023.1 on ubuntu 22.04

[Jibiao Li]

Hi all,

I am new to both linux and cp2k. Everything can not be continued without your help!

I got the code with the following command: "git clone -b support/v2023.1 --recursive https://github.com/cp2k/cp2k.git cp2k". 

I tried to run the toolchain script by the following options:

./install_cp2k_toolchain.sh --with-intel=system --with-gcc=no --mpi-mode=openmpi --math-mode=mkl --with-cmake=system --with-libint=no --with-libxsmm=no --with-elpa=no --with-pexsi=no --with-quip=no --with-plumed=no --with-spglib=install --with-cosma=no --with-libvori=no --with-gsl=no --with-spfft=no --with-hdf5=no --with-spla=no --with-mkl=system  --with-fftw=install --with-libxc=install --with-sirius=install

After revision of the generated local.psmp file, I tried to make the code by the command "make -j 104 ARCH=local VERSION=psmp". However, I got the following errors:

/home/jibiaoli/codes/openmpi-4.1.5/bin/mpicc -c -fopenmp -fp-model precise -g -qopenmp-simd -traceback -xHost    -I/home/jibiaoli/codes/openmpi-4.1.5/include  -m64 -I/home/jibiaoli/intel/oneapi/mkl/2022.1.0/include -I'/home/jibiaoli/codes/cp2k-2023.1/tools/toolchain/install/fftw-3.3.10/include' -I'/home/jibiaoli/codes/cp2k-2023.1/tools/toolchain/install/libxc-6.0.0/include' -I/home/jibiaoli/codes/cp2k-2023.1/tools/toolchain/install/libvdwxc-0.4.0/include -I/home/jibiaoli/codes/cp2k-2023.1/tools/toolchain/install/spglib-1.16.2/include  -I/home/jibiaoli/codes/cp2k-2023.1/tools/toolchain/install/sirius-7.3.2/include -std=c11 -Wall -Wextra -Werror  -Wno-deprecated-declarations -D__parallel -D__MKL -D__FFTW3  -D__LIBXC -D__LIBVDWXC -D__SPGLIB  -D__SIRIUS   /home/jibiaoli/codes/cp2k-2023.1/src/grid/grid_unittest.c

remark #11074: Inlining inhibited by limit max-size 

remark #11076: To get full report use -qopt-report=4 -qopt-report-phase ipo

/home/jibiaoli/codes/cp2k-2023.1/src/dbm/dbm_matrix.c(327): error #279: controlling expression is constant

    assert(omp_get_num_threads() == omp_get_max_threads() &&

    ^

/home/jibiaoli/codes/cp2k-2023.1/src/dbm/dbm_matrix.c(427): error #279: controlling expression is constant

    assert(omp_get_num_threads() == omp_get_max_threads() &&

    ^

/home/jibiaoli/codes/cp2k-2023.1/tools/build_utils/fypp -n /home/jibiaoli/codes/cp2k-2023.1/src/motion/dumpdcd.F dumpdcd.F90

compilation aborted for /home/jibiaoli/codes/cp2k-2023.1/src/dbm/dbm_matrix.c (code 2)

remark #11074: Inlining inhibited by limit max-size 

remark #11076: To get full report use -qopt-report=4 -qopt-report-phase ipo

make[3]: *** [/home/jibiaoli/codes/cp2k-2023.1/Makefile:522: dbm_matrix.o] Error 2

make[3]: *** Waiting for unfinished jobs....

/home/jibiaoli/codes/openmpi-4.1.5/bin/mpif90 -c -fopenmp -fp-model precise -g -qopenmp-simd -traceback -xHost    -I/home/jibiaoli/codes/openmpi-4.1.5/include  -m64 -I/home/jibiaoli/intel/oneapi/mkl/2022.1.0/include -I'/home/jibiaoli/codes/cp2k-2023.1/tools/toolchain/install/fftw-3.3.10/include' -I'/home/jibiaoli/codes/cp2k-2023.1/tools/toolchain/install/libxc-6.0.0/include'  -I/home/jibiaoli/codes/cp2k-2023.1/tools/toolchain/install/libvdwxc-0.4.0/include -I/home/jibiaoli/codes/cp2k-2023.1/tools/toolchain/install/spglib-1.16.2/include  -I/home/jibiaoli/codes/cp2k-2023.1/tools/toolchain/install/sirius-7.3.2/include   -D__parallel -D__MKL -D__FFTW3  -D__LIBXC -D__LIBVDWXC -D__SPGLIB  -D__SIRIUS    -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"2023年 06月 24日 星期六 16:34:45 CST\"" -D__COMPILE_HOST="\"ubuntua\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/home/jibiaoli/codes/cp2k-2023.1/data\"" -D__SHORT_FILE__="\"pw/fft/fft_kinds.F\"" -I'/home/jibiaoli/codes/cp2k-2023.1/src/pw/fft/' -I'/home/jibiaoli/codes/cp2k-2023.1/obj/local/psmp/exts/dbcsr' fft_kinds.F90 

/home/jibiaoli/codes/cp2k-2023.1/src/base/kinds.F(77): remark #8291: Recommended relationship between field width 'W' and the number of fractional digits 'D' in this edit descriptor is 'W>=D+7'.

      WRITE (iw, '( /,T2,A,T79,A,2(/,T2,A,T75,I6),3(/,T2,A,T67,E14.8) )') &

----------------------------------------------------------------^

/home/jibiaoli/codes/cp2k-2023.1/src/base/kinds.F(84): remark #8291: Recommended relationship between field width 'W' and the number of fractional digits 'D' in this edit descriptor is 'W>=D+7'.

      WRITE (iw, '( /,T2,A,T79,A,2(/,T2,A,T75,I6),3(/,T2,A,T67,E14.8) )') &

----------------------------------------------------------------^

remark #11074: Inlining inhibited by limit max-size 

remark #11076: To get full report use -qopt-report=4 -qopt-report-phase ipo

remark #11074: Inlining inhibited by limit max-size 

remark #11076: To get full report use -qopt-report=4 -qopt-report-phase ipo

remark #11074: Inlining inhibited by limit max-size 

remark #11076: To get full report use -qopt-report=4 -qopt-report-phase ipo

remark #11074: Inlining inhibited by limit max-size 

remark #11074: Inlining inhibited by limit max-total-size 

remark #11076: To get full report use -qopt-report=4 -qopt-report-phase ipo

/home/jibiaoli/codes/openmpi-4.1.5/bin/mpif90 -c -fopenmp -fp-model precise -g -qopenmp-simd -traceback -xHost    -I/home/jibiaoli/codes/openmpi-4.1.5/include  -m64 -I/home/jibiaoli/intel/oneapi/mkl/2022.1.0/include -I'/home/jibiaoli/codes/cp2k-2023.1/tools/toolchain/install/fftw-3.3.10/include' -I'/home/jibiaoli/codes/cp2k-2023.1/tools/toolchain/install/libxc-6.0.0/include'  -I/home/jibiaoli/codes/cp2k-2023.1/tools/toolchain/install/libvdwxc-0.4.0/include -I/home/jibiaoli/codes/cp2k-2023.1/tools/toolchain/install/spglib-1.16.2/include  -I/home/jibiaoli/codes/cp2k-2023.1/tools/toolchain/install/sirius-7.3.2/include   -D__parallel -D__MKL -D__FFTW3  -D__LIBXC -D__LIBVDWXC -D__SPGLIB  -D__SIRIUS    -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"2023年 06月 24日 星期六 16:34:45 CST\"" -D__COMPILE_HOST="\"ubuntua\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/home/jibiaoli/codes/cp2k-2023.1/data\"" -D__SHORT_FILE__="\"motion/dumpdcd.F\"" -I'/home/jibiaoli/codes/cp2k-2023.1/src/motion/' -I'/home/jibiaoli/codes/cp2k-2023.1/obj/local/psmp/exts/dbcsr' dumpdcd.F90 

remark #11074: Inlining inhibited by limit max-size 

remark #11076: To get full report use -qopt-report=4 -qopt-report-phase ipo

remark #11074: Inlining inhibited by limit max-size 

remark #11074: Inlining inhibited by limit max-total-size 

remark #11076: To get full report use -qopt-report=4 -qopt-report-phase ipo

remark #11074: Inlining inhibited by limit max-size 

remark #11076: To get full report use -qopt-report=4 -qopt-report-phase ipo

remark #11074: Inlining inhibited by limit max-size 

remark #11076: To get full report use -qopt-report=4 -qopt-report-phase ipo

remark #11074: Inlining inhibited by limit max-size 

remark #11076: To get full report use -qopt-report=4 -qopt-report-phase ipo

remark #11074: Inlining inhibited by limit max-size 

remark #11076: To get full report use -qopt-report=4 -qopt-report-phase ipo

make[2]: *** [/home/jibiaoli/codes/cp2k-2023.1/Makefile:146: all] Error 2

make[1]: *** [/home/jibiaoli/codes/cp2k-2023.1/Makefile:128: psmp] Error 2

make: *** [Makefile:123: all] Error 2

local.psmp file:

CC          = /home/jibiaoli/codes/openmpi-4.1.5/bin/mpicc

CXX         = /home/jibiaoli/codes/openmpi-4.1.5/bin/mpic++

AR          = ar -r

FC          = /home/jibiaoli/codes/openmpi-4.1.5/bin/mpif90

LD          = /home/jibiaoli/codes/openmpi-4.1.5/bin/mpif90

#

DFLAGS      =  -D__parallel -D__MKL -D__FFTW3  -D__LIBXC -D__LIBVDWXC -D__SPGLIB  -D__SIRIUS  

#

WFLAGS      =   

#

FCDEBFLAGS  =

CFLAGS      = -fopenmp -fp-model precise -g -qopenmp-simd -traceback -xHost  $(PROFOPT)  -I/home/jibiaoli/codes/openmpi-4.1.5/include  -m64 -I/home/jibiaoli/intel/oneapi/mkl/2022.1.0/include -I'/home/jibi

aoli/codes/cp2k-2023.1/tools/toolchain/install/fftw-3.3.10/include' -I'/home/jibiaoli/codes/cp2k-2023.1/tools/toolchain/install/libxc-6.0.0/include' -I/home/jibiaoli/codes/cp2k-2023.1/tools/toolchain/inst

all/libvdwxc-0.4.0/include -I/home/jibiaoli/codes/cp2k-2023.1/tools/toolchain/install/spglib-1.16.2/include  -I/home/jibiaoli/codes/cp2k-2023.1/tools/toolchain/install/sirius-7.3.2/include -std=c11 -Wall 

-Wextra -Werror  -Wno-deprecated-declarations $(DFLAGS)

FCFLAGS     = -fopenmp -fp-model precise -g -qopenmp-simd -traceback -xHost  $(PROFOPT)  -I/home/jibiaoli/codes/openmpi-4.1.5/include  -m64 -I/home/jibiaoli/intel/oneapi/mkl/2022.1.0/include -I'/home/jibi

aoli/codes/cp2k-2023.1/tools/toolchain/install/fftw-3.3.10/include' -I'/home/jibiaoli/codes/cp2k-2023.1/tools/toolchain/install/libxc-6.0.0/include'  -I/home/jibiaoli/codes/cp2k-2023.1/tools/toolchain/ins

tall/libvdwxc-0.4.0/include -I/home/jibiaoli/codes/cp2k-2023.1/tools/toolchain/install/spglib-1.16.2/include  -I/home/jibiaoli/codes/cp2k-2023.1/tools/toolchain/install/sirius-7.3.2/include $(FCDEBFLAGS) 

$(WFLAGS) $(DFLAGS) 

CXXFLAGS    = -O2 -fPIC -fno-omit-frame-pointer -fopenmp -g -march=native -mtune=native --std=c++14 $(DFLAGS) -Wno-deprecated-declarations

#

LDFLAGS     =  $(FCFLAGS) -Wl,--enable-new-dtags -L/home/jibiaoli/codes/openmpi-4.1.5/lib -Wl,-rpath -Wl,/home/jibiaoli/codes/openmpi-4.1.5/lib -Wl,--enable-new-dtags   -L'/home/jibiaoli/codes/cp2k-2023.1

/tools/toolchain/install/fftw-3.3.10/lib' -Wl,-rpath,'/home/jibiaoli/codes/cp2k-2023.1/tools/toolchain/install/fftw-3.3.10/lib' -L'/home/jibiaoli/codes/cp2k-2023.1/tools/toolchain/install/libxc-6.0.0/lib'

 -Wl,-rpath,'/home/jibiaoli/codes/cp2k-2023.1/tools/toolchain/install/libxc-6.0.0/lib'  -L'/home/jibiaoli/codes/cp2k-2023.1/tools/toolchain/install/libvdwxc-0.4.0/lib' -Wl,-rpath,'/home/jibiaoli/codes/cp2

k-2023.1/tools/toolchain/install/libvdwxc-0.4.0/lib' -L'/home/jibiaoli/codes/cp2k-2023.1/tools/toolchain/install/spglib-1.16.2/lib' -Wl,-rpath,'/home/jibiaoli/codes/cp2k-2023.1/tools/toolchain/install/spg

lib-1.16.2/lib'  -L'/home/jibiaoli/codes/cp2k-2023.1/tools/toolchain/install/sirius-7.3.2/lib' -Wl,-rpath,'/home/jibiaoli/codes/cp2k-2023.1/tools/toolchain/install/sirius-7.3.2/lib'

LIBS        = -lsirius -lsymspg -lvdwxc -lxcf03 -lxc -lfftw3_mpi -lfftw3 -lfftw3_omp   -lmpi  -L/home/jibiaoli/intel/oneapi/mkl/2022.1.0/lib/intel64 -Wl,-rpath,/home/jibiaoli/intel/oneapi/mkl/2022.1.0/lib

/intel64 -lmkl_scalapack_lp64 -Wl,--start-group -lmkl_gf_lp64 -lmkl_sequential -lmkl_core -lmkl_blacs_openmpi_lp64 -Wl,--end-group -lpthread -lm -ldl -lstdc++

Your help is highly required!

Best Regards

Jibiao Li

[Krack Matthias]

Hi

 

The suggested install procedure with the Intel Classic compilers version 2021.9.0 available with Intel oneAPI 2023.1 is

 

git clone --recursive -b support/v2023.1 https://github.com/cp2k/cp2k.git cp2k

cd cp2k

source arch/Linux-intel-x86_64.psmp

make -j ARCH=Linux-intel-x86_64 VERSION=psmp

 

HTH

 

Matthias

 

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[Jibiao Li]

Hi Matthias

I have reinstalled the oneAPI as you suggested. When I tried to run the command "source arch/Linux-intel-x86_64.psmp", everything was fine except installing libint. Any idea to resolve this problem?  

==================== Installing LIBINT ====================
libint-v2.6.0-cp2k-lmax-5.tgz: OK
Checksum of libint-v2.6.0-cp2k-lmax-5.tgz Ok
Installing from scratch into /home/jibiaoli/codes/cp2k-2023.1/tools/toolchain/install/libint-v2.6.0-cp2k-lmax-5
CR_aB_s__0___CartesianMultipole_sB_1_c_0_c_1_Sb__s__0___Ab__up_.cc:(.text+0x4c): undefined reference to `std::ios_base::Init::Init()'
ld: CR_aB_s__0___CartesianMultipole_sB_1_c_0_c_1_Sb__s__0___Ab__up_.cc:(.text+0x61): undefined reference to `std::ios_base::Init::~Init()'
ld: /home/jibiaoli/codes/cp2k-2023.1/tools/toolchain/build/libint-v2.6.0-cp2k-lmax-5/lib/.libs/libint2.a(CR_DerivGaussP0InBra_aB_i001__0__ps__1___TwoPRep_unit__0__s__1___Ab__up_0.o): in function `__sti__$E':
CR_DerivGaussP0InBra_aB_i001__0__ps__1___TwoPRep_unit__0__s__1___Ab__up_0.cc:(.text+0x3c): undefined reference to `std::ios_base::Init::Init()'
ld: CR_DerivGaussP0InBra_aB_i001__0__ps__1___TwoPRep_unit__0__s__1___Ab__up_0.cc:(.text+0x51): undefined reference to `std::ios_base::Init::~Init()'
ld: /home/jibiaoli/codes/cp2k-2023.1/tools/toolchain/build/libint-v2.6.0-cp2k-lmax-5/lib/.libs/libint2.a(CR_DerivGaussP1InKet_aB_l__0__i__1___TwoPRep_s__0__s010__1___Ab__up_0.o): in function `__sti__$E':
CR_DerivGaussP1InKet_aB_l__0__i__1___TwoPRep_s__0__s010__1___Ab__up_0.cc:(.text+0x3c): undefined reference to `std::ios_base::Init::Init()'
ld: CR_DerivGaussP1InKet_aB_l__0__i__1___TwoPRep_s__0__s010__1___Ab__up_0.cc:(.text+0x51): undefined reference to `std::ios_base::Init::~Init()'
ld: /home/jibiaoli/codes/cp2k-2023.1/tools/toolchain/build/libint-v2.6.0-cp2k-lmax-5/lib/.libs/libint2.a(OSVRRP0InBra_aB_i__0__s__1___TwoPRep_s__0__s__1___Ab__up_0.o): in function `__sti__$E':
OSVRRP0InBra_aB_i__0__s__1___TwoPRep_s__0__s__1___Ab__up_0.cc:(.text+0x69c): undefined reference to `std::ios_base::Init::Init()'
ld: OSVRRP0InBra_aB_i__0__s__1___TwoPRep_s__0__s__1___Ab__up_0.cc:(.text+0x6b1): undefined reference to `std::ios_base::Init::~Init()'
ld: /home/jibiaoli/codes/cp2k-2023.1/tools/toolchain/build/libint-v2.6.0-cp2k-lmax-5/lib/.libs/libint2.a(CR_DerivGaussP0InBra_aB_f100__0__i__1___TwoPRep_unit__0__unit__1___Ab__up_0.o): in function `__sti__$E':
CR_DerivGaussP0InBra_aB_f100__0__i__1___TwoPRep_unit__0__unit__1___Ab__up_0.cc:(.text+0x1fcc): undefined reference to `std::ios_base::Init::Init()'
ld: CR_DerivGaussP0InBra_aB_f100__0__i__1___TwoPRep_unit__0__unit__1___Ab__up_0.cc:(.text+0x1fe1): undefined reference to `std::ios_base::Init::~Init()'
ld: /home/jibiaoli/codes/cp2k-2023.1/tools/toolchain/build/libint-v2.6.0-cp2k-lmax-5/lib/.libs/libint2.a(CR_aB_h__0___Kinetic_p__0___Ab__up_.o): in function `__sti__$E':
CR_aB_h__0___Kinetic_p__0___Ab__up_.cc:(.text+0x119c): undefined reference to `std::ios_base::Init::Init()'
ld: CR_aB_h__0___Kinetic_p__0___Ab__up_.cc:(.text+0x11b1): undefined reference to `std::ios_base::Init::~Init()'
ld: /home/jibiaoli/codes/cp2k-2023.1/tools/toolchain/build/libint-v2.6.0-cp2k-lmax-5/lib/.libs/libint2.a(CR_DerivGaussP0InBra_aB_h100__0__g__1___TwoPRep_unit__0__unit__1___Ab__up_0.o): in function `__sti__$E':
CR_DerivGaussP0InBra_aB_h100__0__g__1___TwoPRep_unit__0__unit__1___Ab__up_0.cc:(.text+0x257c): undefined reference to `std::ios_base::Init::Init()'
ld: CR_DerivGaussP0InBra_aB_h100__0__g__1___TwoPRep_unit__0__unit__1___Ab__up_0.cc:(.text+0x2591): undefined reference to `std::ios_base::Init::~Init()'
ld: /home/jibiaoli/codes/cp2k-2023.1/tools/toolchain/build/libint-v2.6.0-cp2k-lmax-5/lib/.libs/libint2.a(CR_aB_f__0___CartesianMultipole_sB_2_c_0_c_0_Sb__f__0___Ab__up_.o): in function `__sti__$E':
CR_aB_f__0___CartesianMultipole_sB_2_c_0_c_0_Sb__f__0___Ab__up_.cc:(.text+0xa4c): undefined reference to `std::ios_base::Init::Init()'
ld: CR_aB_f__0___CartesianMultipole_sB_2_c_0_c_0_Sb__f__0___Ab__up_.cc:(.text+0xa61): undefined reference to `std::ios_base::Init::~Init()'
ld: /home/jibiaoli/codes/cp2k-2023.1/tools/toolchain/build/libint-v2.6.0-cp2k-lmax-5/lib/.libs/libint2.a(OSVRRSMultipole_aB_ps__0___SphericalMultipole_sB_1_c_1_Sb__s__0___Ab__up_.o): in function `__sti__$E':
OSVRRSMultipole_aB_ps__0___SphericalMultipole_sB_1_c_1_Sb__s__0___Ab__up_.cc:(.text+0xa1c): undefined reference to `std::ios_base::Init::Init()'
ld: OSVRRSMultipole_aB_ps__0___SphericalMultipole_sB_1_c_1_Sb__s__0___Ab__up_.cc:(.text+0xa31): undefined reference to `std::ios_base::Init::~Init()'
ld: /home/jibiaoli/codes/cp2k-2023.1/tools/toolchain/build/libint-v2.6.0-cp2k-lmax-5/lib/.libs/libint2.a(OSVRRElecPotInBra_aB_m__0___ElecPot_s__0___Ab__up_0.o): in function `__sti__$E':
OSVRRElecPotInBra_aB_m__0___ElecPot_s__0___Ab__up_0.cc:(.text+0xcdc): undefined reference to `std::ios_base::Init::Init()'
ld: OSVRRElecPotInBra_aB_m__0___ElecPot_s__0___Ab__up_0.cc:(.text+0xcf1): undefined reference to `std::ios_base::Init::~Init()'
ld: /home/jibiaoli/codes/cp2k-2023.1/tools/toolchain/build/libint-v2.6.0-cp2k-lmax-5/lib/.libs/libint2.a(CR_aB_s__0___CartesianMultipole_sB_1_c_0_c_2_Sb__d__0___Ab__up_.o): in function `__sti__$E':
CR_aB_s__0___CartesianMultipole_sB_1_c_0_c_2_Sb__d__0___Ab__up_.cc:(.text+0x12c): undefined reference to `std::ios_base::Init::Init()'
ld: CR_aB_s__0___CartesianMultipole_sB_1_c_0_c_2_Sb__d__0___Ab__up_.cc:(.text+0x141): undefined reference to `std::ios_base::Init::~Init()'
ld: /home/jibiaoli/codes/cp2k-2023.1/tools/toolchain/build/libint-v2.6.0-cp2k-lmax-5/lib/.libs/libint2.a(CR_DerivGaussP0InBra_aB_l100__0__i__1___TwoPRep_s__0__s__1___Ab__up_0.o): in function `__sti__$E':
CR_DerivGaussP0InBra_aB_l100__0__i__1___TwoPRep_s__0__s__1___Ab__up_0.cc:(.text+0x3c): undefined reference to `std::ios_base::Init::Init()'
ld: CR_DerivGaussP0InBra_aB_l100__0__i__1___TwoPRep_s__0__s__1___Ab__up_0.cc:(.text+0x51): undefined reference to `std::ios_base::Init::~Init()'
ld: /home/jibiaoli/codes/cp2k-2023.1/tools/toolchain/build/libint-v2.6.0-cp2k-lmax-5/lib/.libs/libint2.a(OSVRRP0InBra_aB_ps__0__h__1___TwoPRep_s__0__s__1___Ab__up_0.o): in function `__sti__$E':
OSVRRP0InBra_aB_ps__0__h__1___TwoPRep_s__0__s__1___Ab__up_0.cc:(.text+0xabc): undefined reference to `std::ios_base::Init::Init()'
ld: OSVRRP0InBra_aB_ps__0__h__1___TwoPRep_s__0__s__1___Ab__up_0.cc:(.text+0xad1): undefined reference to `std::ios_base::Init::~Init()'
ld: /home/jibiaoli/codes/cp2k-2023.1/tools/toolchain/build/libint-v2.6.0-cp2k-lmax-5/lib/.libs/libint2.a(CR_DerivGaussP0InBra_aB_h010__0__i__1___TwoPRep_unit__0__unit__1___Ab__up_0.o): in function `__sti__$E':
CR_DerivGaussP0InBra_aB_h010__0__i__1___TwoPRep_unit__0__unit__1___Ab__up_0.cc:(.text+0x485c): undefined reference to `std::ios_base::Init::Init()'
ld: CR_DerivGaussP0InBra_aB_h010__0__i__1___TwoPRep_unit__0__unit__1___Ab__up_0.cc:(.text+0x4871): undefined reference to `std::ios_base::Init::~Init()'
ld: /home/jibiaoli/codes/cp2k-2023.1/tools/toolchain/build/libint-v2.6.0-cp2k-lmax-5/lib/.libs/libint2.a(OSVRRSMultipole_aB_ps__0___SphericalMultipole_sB_2_c_0_Sb__s__0___Ab__up_.o): in function `__sti__$E':
OSVRRSMultipole_aB_ps__0___SphericalMultipole_sB_2_c_0_Sb__s__0___Ab__up_.cc:(.text+0xbdc): undefined reference to `std::ios_base::Init::Init()'
ld: OSVRRSMultipole_aB_ps__0___SphericalMultipole_sB_2_c_0_Sb__s__0___Ab__up_.cc:(.text+0xbf1): undefined reference to `std::ios_base::Init::~Init()'
ld: /home/jibiaoli/codes/cp2k-2023.1/tools/toolchain/build/libint-v2.6.0-cp2k-lmax-5/lib/.libs/libint2.a(CR_DerivGaussP0InKet_aB_l__0__i__1___TwoPRep_s010__0__s__1___Ab__up_0.o): in function `__sti__$E':
CR_DerivGaussP0InKet_aB_l__0__i__1___TwoPRep_s010__0__s__1___Ab__up_0.cc:(.text+0x3c): undefined reference to `std::ios_base::Init::Init()'
ld: CR_DerivGaussP0InKet_aB_l__0__i__1___TwoPRep_s010__0__s__1___Ab__up_0.cc:(.text+0x51): undefined reference to `std::ios_base::Init::~Init()'
ld: /home/jibiaoli/codes/cp2k-2023.1/tools/toolchain/build/libint-v2.6.0-cp2k-lmax-5/lib/.libs/libint2.a(CR_aB_s__0___CartesianMultipole_sB_0_c_2_c_0_Sb__s__0___Ab__up_.o): in function `__sti__$E':
CR_aB_s__0___CartesianMultipole_sB_0_c_2_c_0_Sb__s__0___Ab__up_.cc:(.text+0x4c): undefined reference to `std::ios_base::Init::Init()'
ld: CR_aB_s__0___CartesianMultipole_sB_0_c_2_c_0_Sb__s__0___Ab__up_.cc:(.text+0x61): undefined reference to `std::ios_base::Init::~Init()'
ld: /home/jibiaoli/codes/cp2k-2023.1/tools/toolchain/build/libint-v2.6.0-cp2k-lmax-5/lib/.libs/libint2.a(CR_DerivGaussP1InKet_aB_k__0__l__1___TwoPRep_s__0__s010__1___Ab__up_0.o): in function `__sti__$E':
CR_DerivGaussP1InKet_aB_k__0__l__1___TwoPRep_s__0__s010__1___Ab__up_0.cc:(.text+0x3c): undefined reference to `std::ios_base::Init::Init()'
ld: CR_DerivGaussP1InKet_aB_k__0__l__1___TwoPRep_s__0__s010__1___Ab__up_0.cc:(.text+0x51): undefined reference to `std::ios_base::Init::~Init()'
ld: /home/jibiaoli/codes/cp2k-2023.1/tools/toolchain/build/libint-v2.6.0-cp2k-lmax-5/lib/.libs/libint2.a(CR_DerivGaussP0InBra_aB_l100__0__h__1___TwoPRep_s__0__s__1___Ab__up_0.o): in function `__sti__$E':
CR_DerivGaussP0InBra_aB_l100__0__h__1___TwoPRep_s__0__s__1___Ab__up_0.cc:(.text+0x3c): undefined reference to `std::ios_base::Init::Init()'
ld: CR_DerivGaussP0InBra_aB_l100__0__h__1___TwoPRep_s__0__s__1___Ab__up_0.cc:(.text+0x51): undefined reference to `std::ios_base::Init::~Init()'
ld: /home/jibiaoli/codes/cp2k-2023.1/tools/toolchain/build/libint-v2.6.0-cp2k-lmax-5/lib/.libs/libint2.a(CR_aB_h__0___Kinetic_f__0___Ab__up_.o): in function `__sti__$E':
CR_aB_h__0___Kinetic_f__0___Ab__up_.cc:(.text+0x325c): undefined reference to `std::ios_base::Init::Init()'
ld: CR_aB_h__0___Kinetic_f__0___Ab__up_.cc:(.text+0x3271): undefined reference to `std::ios_base::Init::~Init()'
ld: /home/jibiaoli/codes/cp2k-2023.1/tools/toolchain/build/libint-v2.6.0-cp2k-lmax-5/lib/.libs/libint2.a(CR_aB_f__0___CartesianMultipole_sB_0_c_3_c_0_Sb__p__0___Ab__up_.o): in function `__sti__$E':
CR_aB_f__0___CartesianMultipole_sB_0_c_3_c_0_Sb__p__0___Ab__up_.cc:(.text+0x42c): undefined reference to `std::ios_base::Init::Init()'
ld: CR_aB_f__0___CartesianMultipole_sB_0_c_3_c_0_Sb__p__0___Ab__up_.cc:(.text+0x441): undefined reference to `std::ios_base::Init::~Init()'
ld: /home/jibiaoli/codes/cp2k-2023.1/tools/toolchain/build/libint-v2.6.0-cp2k-lmax-5/lib/.libs/libint2.a(CR_aB_s__0___CartesianMultipole_sB_0_c_3_c_0_Sb__d__0___Ab__up_.o): in function `__sti__$E':
CR_aB_s__0___CartesianMultipole_sB_0_c_3_c_0_Sb__d__0___Ab__up_.cc:(.text+0x11c): undefined reference to `std::ios_base::Init::Init()'
ld: CR_aB_s__0___CartesianMultipole_sB_0_c_3_c_0_Sb__d__0___Ab__up_.cc:(.text+0x131): undefined reference to `std::ios_base::Init::~Init()'
ld: /home/jibiaoli/codes/cp2k-2023.1/tools/toolchain/build/libint-v2.6.0-cp2k-lmax-5/lib/.libs/libint2.a(CR_aB_s__0___CartesianMultipole_sB_1_c_1_c_1_Sb__d__0___Ab__up_.o): in function `__sti__$E':
CR_aB_s__0___CartesianMultipole_sB_1_c_1_c_1_Sb__d__0___Ab__up_.cc:(.text+0x11c): undefined reference to `std::ios_base::Init::Init()'
ld: CR_aB_s__0___CartesianMultipole_sB_1_c_1_c_1_Sb__d__0___Ab__up_.cc:(.text+0x131): undefined reference to `std::ios_base::Init::~Init()'
ld: /home/jibiaoli/codes/cp2k-2023.1/tools/toolchain/build/libint-v2.6.0-cp2k-lmax-5/lib/.libs/libint2.a(CR_DerivGaussP0InKet_aB_l__0__h__1___TwoPRep_s001__0__s__1___Ab__up_0.o): in function `__sti__$E':
CR_DerivGaussP0InKet_aB_l__0__h__1___TwoPRep_s001__0__s__1___Ab__up_0.cc:(.text+0x3c): undefined reference to `std::ios_base::Init::Init()'
ld: CR_DerivGaussP0InKet_aB_l__0__h__1___TwoPRep_s001__0__s__1___Ab__up_0.cc:(.text+0x51): undefined reference to `std::ios_base::Init::~Init()'
ld: /home/jibiaoli/codes/cp2k-2023.1/tools/toolchain/build/libint-v2.6.0-cp2k-lmax-5/lib/.libs/libint2.a(CR_DerivGaussP0InBra_aB_l100__0__l__1___TwoPRep_s__0__s__1___Ab__up_0.o): in function `__sti__$E':
CR_DerivGaussP0InBra_aB_l100__0__l__1___TwoPRep_s__0__s__1___Ab__up_0.cc:(.text+0x3c): undefined reference to `std::ios_base::Init::Init()'
ld: CR_DerivGaussP0InBra_aB_l100__0__l__1___TwoPRep_s__0__s__1___Ab__up_0.cc:(.text+0x51): undefined reference to `std::ios_base::Init::~Init()'
ld: /home/jibiaoli/codes/cp2k-2023.1/tools/toolchain/build/libint-v2.6.0-cp2k-lmax-5/lib/.libs/libint2.a(OSVRRSMultipole_aB_ps__0___SphericalMultipole_sB_3_c_3_Sb__s__0___Ab__up_.o): in function `__sti__$E':
OSVRRSMultipole_aB_ps__0___SphericalMultipole_sB_3_c_3_Sb__s__0___Ab__up_.cc:(.text+0xa4c): undefined reference to `std::ios_base::Init::Init()'
ld: OSVRRSMultipole_aB_ps__0___SphericalMultipole_sB_3_c_3_Sb__s__0___Ab__up_.cc:(.text+0xa61): undefined reference to `std::ios_base::Init::~Init()'
ld: /home/jibiaoli/codes/cp2k-2023.1/tools/toolchain/build/libint-v2.6.0-cp2k-lmax-5/lib/.libs/libint2.a(CR_aB_s__0___CartesianMultipole_sB_1_c_0_c_0_Sb__s__0___Ab__up_.o): in function `__sti__$E':
CR_aB_s__0___CartesianMultipole_sB_1_c_0_c_0_Sb__s__0___Ab__up_.cc:(.text+0x3c): undefined reference to `std::ios_base::Init::Init()'
ld: CR_aB_s__0___CartesianMultipole_sB_1_c_0_c_0_Sb__s__0___Ab__up_.cc:(.text+0x51): undefined reference to `std::ios_base::Init::~Init()'
ld: /home/jibiaoli/codes/cp2k-2023.1/tools/toolchain/build/libint-v2.6.0-cp2k-lmax-5/lib/.libs/libint2.a(CR_DerivGaussP0InKet_aB_l__0__g__1___TwoPRep_s001__0__s__1___Ab__up_0.o): in function `__sti__$E':
CR_DerivGaussP0InKet_aB_l__0__g__1___TwoPRep_s001__0__s__1___Ab__up_0.cc:(.text+0x422c): undefined reference to `std::ios_base::Init::Init()'
ld: CR_DerivGaussP0InKet_aB_l__0__g__1___TwoPRep_s001__0__s__1___Ab__up_0.cc:(.text+0x4241): undefined reference to `std::ios_base::Init::~Init()'
ld: /home/jibiaoli/codes/cp2k-2023.1/tools/toolchain/build/libint-v2.6.0-cp2k-lmax-5/lib/.libs/libint2.a(OSVRRP1InBra_aB_g010__0__p__1___TwoPRep_unit__0__unit__1___Ab__up_0.o): in function `__sti__$E':
OSVRRP1InBra_aB_g010__0__p__1___TwoPRep_unit__0__unit__1___Ab__up_0.cc:(.text+0x6ac): undefined reference to `std::ios_base::Init::Init()'
ld: OSVRRP1InBra_aB_g010__0__p__1___TwoPRep_unit__0__unit__1___Ab__up_0.cc:(.text+0x6c1): undefined reference to `std::ios_base::Init::~Init()'
ld: /home/jibiaoli/codes/cp2k-2023.1/tools/toolchain/build/libint-v2.6.0-cp2k-lmax-5/lib/.libs/libint2.a(OSVRRSMultipole_aB_ps__0___SphericalMultipole_sB_4_c_3_Sb__s__0___Ab__up_.o): in function `__sti__$E':
OSVRRSMultipole_aB_ps__0___SphericalMultipole_sB_4_c_3_Sb__s__0___Ab__up_.cc:(.text+0xb7c): undefined reference to `std::ios_base::Init::Init()'
ld: OSVRRSMultipole_aB_ps__0___SphericalMultipole_sB_4_c_3_Sb__s__0___Ab__up_.cc:(.text+0xb91): undefined reference to `std::ios_base::Init::~Init()'
ld: /home/jibiaoli/codes/cp2k-2023.1/tools/toolchain/build/libint-v2.6.0-cp2k-lmax-5/lib/.libs/libint2.a(CR_DerivGaussP0InKet_aB_l__0__i__1___TwoPRep_s001__0__s__1___Ab__up_0.o): in function `__sti__$E':
CR_DerivGaussP0InKet_aB_l__0__i__1___TwoPRep_s001__0__s__1___Ab__up_0.cc:(.text+0x3c): undefined reference to `std::ios_base::Init::Init()'
ld: CR_DerivGaussP0InKet_aB_l__0__i__1___TwoPRep_s001__0__s__1___Ab__up_0.cc:(.text+0x51): undefined reference to `std::ios_base::Init::~Init()'
ld: /home/jibiaoli/codes/cp2k-2023.1/tools/toolchain/build/libint-v2.6.0-cp2k-lmax-5/lib/.libs/libint2.a(CR_DerivGaussP0InBra_aB_f001__0__i__1___TwoPRep_unit__0__unit__1___Ab__up_0.o): in function `__sti__$E':
CR_DerivGaussP0InBra_aB_f001__0__i__1___TwoPRep_unit__0__unit__1___Ab__up_0.cc:(.text+0x204c): undefined reference to `std::ios_base::Init::Init()'
ld: CR_DerivGaussP0InBra_aB_f001__0__i__1___TwoPRep_unit__0__unit__1___Ab__up_0.cc:(.text+0x2061): undefined reference to `std::ios_base::Init::~Init()'
ld: /home/jibiaoli/codes/cp2k-2023.1/tools/toolchain/build/libint-v2.6.0-cp2k-lmax-5/lib/.libs/libint2.a(CR_DerivGaussP1InKet_aB_l__0__h__1___TwoPRep_s__0__s100__1___Ab__up_0.o): in function `__sti__$E':
CR_DerivGaussP1InKet_aB_l__0__h__1___TwoPRep_s__0__s100__1___Ab__up_0.cc:(.text+0x3c): undefined reference to `std::ios_base::Init::Init()'
ld: CR_DerivGaussP1InKet_aB_l__0__h__1___TwoPRep_s__0__s100__1___Ab__up_0.cc:(.text+0x51): undefined reference to `std::ios_base::Init::~Init()'
ld: /home/jibiaoli/codes/cp2k-2023.1/tools/toolchain/build/libint-v2.6.0-cp2k-lmax-5/lib/.libs/libint2.a(CR_aB_d__0___CartesianMultipole_sB_2_c_0_c_0_Sb__g__0___Ab__up_.o): in function `__sti__$E':
CR_aB_d__0___CartesianMultipole_sB_2_c_0_c_0_Sb__g__0___Ab__up_.cc:(.text+0x94c): undefined reference to `std::ios_base::Init::Init()'
ld: CR_aB_d__0___CartesianMultipole_sB_2_c_0_c_0_Sb__g__0___Ab__up_.cc:(.text+0x961): undefined reference to `std::ios_base::Init::~Init()'
ld: /home/jibiaoli/codes/cp2k-2023.1/tools/toolchain/build/libint-v2.6.0-cp2k-lmax-5/lib/.libs/libint2.a(CR_aB_d__0___CartesianMultipole_sB_1_c_2_c_0_Sb__g__0___Ab__up_.o): in function `__sti__$E':
CR_aB_d__0___CartesianMultipole_sB_1_c_2_c_0_Sb__g__0___Ab__up_.cc:(.text+0x9ec): undefined reference to `std::ios_base::Init::Init()'
ld: CR_aB_d__0___CartesianMultipole_sB_1_c_2_c_0_Sb__g__0___Ab__up_.cc:(.text+0xa01): undefined reference to `std::ios_base::Init::~Init()'
ld: /home/jibiaoli/codes/cp2k-2023.1/tools/toolchain/build/libint-v2.6.0-cp2k-lmax-5/lib/.libs/libint2.a(CR_DerivGaussP0InBra_aB_f001__0__h__1___TwoPRep_unit__0__unit__1___Ab__up_0.o): in function `__sti__$E':
CR_DerivGaussP0InBra_aB_f001__0__h__1___TwoPRep_unit__0__unit__1___Ab__up_0.cc:(.text+0x17cc): undefined reference to `std::ios_base::Init::Init()'
ld: CR_DerivGaussP0InBra_aB_f001__0__h__1___TwoPRep_unit__0__unit__1___Ab__up_0.cc:(.text+0x17e1): undefined reference to `std::ios_base::Init::~Init()'
ld: /home/jibiaoli/codes/cp2k-2023.1/tools/toolchain/build/libint-v2.6.0-cp2k-lmax-5/lib/.libs/libint2.a(OSVRRP0InBra_aB_d100__0__g__1___TwoPRep_unit__0__unit__1___Ab__up_0.o): in function `__sti__$E':
OSVRRP0InBra_aB_d100__0__g__1___TwoPRep_unit__0__unit__1___Ab__up_0.cc:(.text+0x11cc): undefined reference to `std::ios_base::Init::Init()'
ld: OSVRRP0InBra_aB_d100__0__g__1___TwoPRep_unit__0__unit__1___Ab__up_0.cc:(.text+0x11e1): undefined reference to `std::ios_base::Init::~Init()'
ld: /home/jibiaoli/codes/cp2k-2023.1/tools/toolchain/build/libint-v2.6.0-cp2k-lmax-5/lib/.libs/libint2.a(CR_DerivGaussP1InKet_aB_l__0__l__1___TwoPRep_s__0__s100__1___Ab__up_0.o): in function `__sti__$E':
CR_DerivGaussP1InKet_aB_l__0__l__1___TwoPRep_s__0__s100__1___Ab__up_0.cc:(.text+0x3c): undefined reference to `std::ios_base::Init::Init()'
ld: CR_DerivGaussP1InKet_aB_l__0__l__1___TwoPRep_s__0__s100__1___Ab__up_0.cc:(.text+0x51): undefined reference to `std::ios_base::Init::~Init()'
ld: /home/jibiaoli/codes/cp2k-2023.1/tools/toolchain/build/libint-v2.6.0-cp2k-lmax-5/lib/.libs/libint2.a(CR_aB_s__0___Kinetic_s__0___Ab__up_.o): in function `__sti__$E':
CR_aB_s__0___Kinetic_s__0___Ab__up_.cc:(.text+0x5c): undefined reference to `std::ios_base::Init::Init()'
ld: CR_aB_s__0___Kinetic_s__0___Ab__up_.cc:(.text+0x71): undefined reference to `std::ios_base::Init::~Init()'
ld: /home/jibiaoli/codes/cp2k-2023.1/tools/toolchain/build/libint-v2.6.0-cp2k-lmax-5/lib/.libs/libint2.a(CR_aB_f__0___CartesianMultipole_sB_0_c_3_c_0_Sb__f__0___Ab__up_.o): in function `__sti__$E':
CR_aB_f__0___CartesianMultipole_sB_0_c_3_c_0_Sb__f__0___Ab__up_.cc:(.text+0xadc): undefined reference to `std::ios_base::Init::Init()'
ld: CR_aB_f__0___CartesianMultipole_sB_0_c_3_c_0_Sb__f__0___Ab__up_.cc:(.text+0xaf1): undefined reference to `std::ios_base::Init::~Init()'
ld: /home/jibiaoli/codes/cp2k-2023.1/tools/toolchain/build/libint-v2.6.0-cp2k-lmax-5/lib/.libs/libint2.a(CR_aB_s__0___CartesianMultipole_sB_1_c_2_c_0_Sb__d__0___Ab__up_.o): in function `__sti__$E':
CR_aB_s__0___CartesianMultipole_sB_1_c_2_c_0_Sb__d__0___Ab__up_.cc:(.text+0x11c): undefined reference to `std::ios_base::Init::Init()'
ld: CR_aB_s__0___CartesianMultipole_sB_1_c_2_c_0_Sb__d__0___Ab__up_.cc:(.text+0x131): undefined reference to `std::ios_base::Init::~Init()'
ld: /home/jibiaoli/codes/cp2k-2023.1/tools/toolchain/build/libint-v2.6.0-cp2k-lmax-5/lib/.libs/libint2.a(CR_DerivGaussP0InKet_aB_l__0__g__1___TwoPRep_s010__0__s__1___Ab__up_0.o): in function `__sti__$E':
CR_DerivGaussP0InKet_aB_l__0__g__1___TwoPRep_s010__0__s__1___Ab__up_0.cc:(.text+0x422c): undefined reference to `std::ios_base::Init::Init()'
ld: CR_DerivGaussP0InKet_aB_l__0__g__1___TwoPRep_s010__0__s__1___Ab__up_0.cc:(.text+0x4241): undefined reference to `std::ios_base::Init::~Init()'
ld: /home/jibiaoli/codes/cp2k-2023.1/tools/toolchain/build/libint-v2.6.0-cp2k-lmax-5/lib/.libs/libint2.a(CR_DerivGaussP0InBra_aB_f010__0__i__1___TwoPRep_unit__0__unit__1___Ab__up_0.o): in function `__sti__$E':
CR_DerivGaussP0InBra_aB_f010__0__i__1___TwoPRep_unit__0__unit__1___Ab__up_0.cc:(.text+0x202c): undefined reference to `std::ios_base::Init::Init()'
ld: CR_DerivGaussP0InBra_aB_f010__0__i__1___TwoPRep_unit__0__unit__1___Ab__up_0.cc:(.text+0x2041): undefined reference to `std::ios_base::Init::~Init()'
ld: /home/jibiaoli/codes/cp2k-2023.1/tools/toolchain/build/libint-v2.6.0-cp2k-lmax-5/lib/.libs/libint2.a(CR_aB_d__0___CartesianMultipole_sB_1_c_0_c_2_Sb__g__0___Ab__up_.o): in function `__sti__$E':
CR_aB_d__0___CartesianMultipole_sB_1_c_0_c_2_Sb__g__0___Ab__up_.cc:(.text+0x9fc): undefined reference to `std::ios_base::Init::Init()'
ld: CR_aB_d__0___CartesianMultipole_sB_1_c_0_c_2_Sb__g__0___Ab__up_.cc:(.text+0xa11): undefined reference to `std::ios_base::Init::~Init()'
ld: /home/jibiaoli/codes/cp2k-2023.1/tools/toolchain/build/libint-v2.6.0-cp2k-lmax-5/lib/.libs/libint2.a(CR_DerivGaussP0InBra_aB_l001__0__h__1___TwoPRep_s__0__s__1___Ab__up_0.o): in function `__sti__$E':
CR_DerivGaussP0InBra_aB_l001__0__h__1___TwoPRep_s__0__s__1___Ab__up_0.cc:(.text+0x3c): undefined reference to `std::ios_base::Init::Init()'
ld: CR_DerivGaussP0InBra_aB_l001__0__h__1___TwoPRep_s__0__s__1___Ab__up_0.cc:(.text+0x51): undefined reference to `std::ios_base::Init::~Init()'
ld: /home/jibiaoli/codes/cp2k-2023.1/tools/toolchain/build/libint-v2.6.0-cp2k-lmax-5/lib/.libs/libint2.a(CR_DerivGaussP0InBra_aB_l001__0__i__1___TwoPRep_s__0__s__1___Ab__up_0.o): in function `__sti__$E':
CR_DerivGaussP0InBra_aB_l001__0__i__1___TwoPRep_s__0__s__1___Ab__up_0.cc:(.text+0x3c): undefined reference to `std::ios_base::Init::Init()'
ld: CR_DerivGaussP0InBra_aB_l001__0__i__1___TwoPRep_s__0__s__1___Ab__up_0.cc:(.text+0x51): undefined reference to `std::ios_base::Init::~Init()'
ld: /home/jibiaoli/codes/cp2k-2023.1/tools/toolchain/build/libint-v2.6.0-cp2k-lmax-5/lib/.libs/libint2.a(OSVRRP0InBra_aB_p100__0__l__1___TwoPRep_s__0__s__1___Ab__up_0.o): in function `__sti__$E':
OSVRRP0InBra_aB_p100__0__l__1___TwoPRep_s__0__s__1___Ab__up_0.cc:(.text+0x1f8c): undefined reference to `std::ios_base::Init::Init()'
ld: OSVRRP0InBra_aB_p100__0__l__1___TwoPRep_s__0__s__1___Ab__up_0.cc:(.text+0x1fa1): undefined reference to `std::ios_base::Init::~Init()'
ld: /home/jibiaoli/codes/cp2k-2023.1/tools/toolchain/build/libint-v2.6.0-cp2k-lmax-5/lib/.libs/libint2.a(CR_aB_s__0___CartesianMultipole_sB_0_c_2_c_1_Sb__d__0___Ab__up_.o): in function `__sti__$E':
CR_aB_s__0___CartesianMultipole_sB_0_c_2_c_1_Sb__d__0___Ab__up_.cc:(.text+0x11c): undefined reference to `std::ios_base::Init::Init()'
ld: CR_aB_s__0___CartesianMultipole_sB_0_c_2_c_1_Sb__d__0___Ab__up_.cc:(.text+0x131): undefined reference to `std::ios_base::Init::~Init()'
ld: /home/jibiaoli/codes/cp2k-2023.1/tools/toolchain/build/libint-v2.6.0-cp2k-lmax-5/lib/.libs/libint2.a(CR_DerivGaussP0InBra_aB_l010__0__h__1___TwoPRep_s__0__s__1___Ab__up_0.o): in function `__sti__$E':
CR_DerivGaussP0InBra_aB_l010__0__h__1___TwoPRep_s__0__s__1___Ab__up_0.cc:(.text+0x3c): undefined reference to `std::ios_base::Init::Init()'
ld: CR_DerivGaussP0InBra_aB_l010__0__h__1___TwoPRep_s__0__s__1___Ab__up_0.cc:(.text+0x51): undefined reference to `std::ios_base::Init::~Init()'
ld: /home/jibiaoli/codes/cp2k-2023.1/tools/toolchain/build/libint-v2.6.0-cp2k-lmax-5/lib/.libs/libint2.a(CR_aB_s__0___CartesianMultipole_sB_1_c_1_c_1_Sb__s__0___Ab__up_.o): in function `__sti__$E':
CR_aB_s__0___CartesianMultipole_sB_1_c_1_c_1_Sb__s__0___Ab__up_.cc:(.text+0x5c): undefined reference to `std::ios_base::Init::Init()'
ld: CR_aB_s__0___CartesianMultipole_sB_1_c_1_c_1_Sb__s__0___Ab__up_.cc:(.text+0x71): undefined reference to `std::ios_base::Init::~Init()'
ld: /home/jibiaoli/codes/cp2k-2023.1/tools/toolchain/build/libint-v2.6.0-cp2k-lmax-5/lib/.libs/libint2.a(CR_DerivGaussP0InBra_aB_l001__0__l__1___TwoPRep_s__0__s__1___Ab__up_0.o): in function `__sti__$E':
CR_DerivGaussP0InBra_aB_l001__0__l__1___TwoPRep_s__0__s__1___Ab__up_0.cc:(.text+0x3c): undefined reference to `std::ios_base::Init::Init()'
ld: CR_DerivGaussP0InBra_aB_l001__0__l__1___TwoPRep_s__0__s__1___Ab__up_0.cc:(.text+0x51): undefined reference to `std::ios_base::Init::~Init()'
ld: /home/jibiaoli/codes/cp2k-2023.1/tools/toolchain/build/libint-v2.6.0-cp2k-lmax-5/lib/.libs/libint2.a(CR_aB_s__0___Kinetic_h__0___Ab__up_.o): in function `__sti__$E':
CR_aB_s__0___Kinetic_h__0___Ab__up_.cc:(.text+0x60c): undefined reference to `std::ios_base::Init::Init()'
ld: CR_aB_s__0___Kinetic_h__0___Ab__up_.cc:(.text+0x621): undefined reference to `std::ios_base::Init::~Init()'
ld: /home/jibiaoli/codes/cp2k-2023.1/tools/toolchain/build/libint-v2.6.0-cp2k-lmax-5/lib/.libs/libint2.a(CR_aB_s__0___CartesianMultipole_sB_0_c_2_c_1_Sb__s__0___Ab__up_.o): in function `__sti__$E':
CR_aB_s__0___CartesianMultipole_sB_0_c_2_c_1_Sb__s__0___Ab__up_.cc:(.text+0x5c): undefined reference to `std::ios_base::Init::Init()'
ld: CR_aB_s__0___CartesianMultipole_sB_0_c_2_c_1_Sb__s__0___Ab__up_.cc:(.text+0x71): undefined reference to `std::ios_base::Init::~Init()'
ld: /home/jibiaoli/codes/cp2k-2023.1/tools/toolchain/build/libint-v2.6.0-cp2k-lmax-5/lib/.libs/libint2.a(CR_aB_d__0___CartesianMultipole_sB_1_c_1_c_1_Sb__g__0___Ab__up_.o): in function `__sti__$E':
CR_aB_d__0___CartesianMultipole_sB_1_c_1_c_1_Sb__g__0___Ab__up_.cc:(.text+0x9fc): undefined reference to `std::ios_base::Init::Init()'
ld: CR_aB_d__0___CartesianMultipole_sB_1_c_1_c_1_Sb__g__0___Ab__up_.cc:(.text+0xa11): undefined reference to `std::ios_base::Init::~Init()'
ld: /home/jibiaoli/codes/cp2k-2023.1/tools/toolchain/build/libint-v2.6.0-cp2k-lmax-5/lib/.libs/libint2.a(CR_aB_d__0___CartesianMultipole_sB_0_c_1_c_2_Sb__g__0___Ab__up_.o): in function `__sti__$E':
CR_aB_d__0___CartesianMultipole_sB_0_c_1_c_2_Sb__g__0___Ab__up_.cc:(.text+0x9ec): undefined reference to `std::ios_base::Init::Init()'
ld: CR_aB_d__0___CartesianMultipole_sB_0_c_1_c_2_Sb__g__0___Ab__up_.cc:(.text+0xa01): undefined reference to `std::ios_base::Init::~Init()'
ld: /home/jibiaoli/codes/cp2k-2023.1/tools/toolchain/build/libint-v2.6.0-cp2k-lmax-5/lib/.libs/libint2.a(CR_DerivGaussP1InKet_aB_l__0__k__1___TwoPRep_s__0__s001__1___Ab__up_0.o): in function `__sti__$E':
CR_DerivGaussP1InKet_aB_l__0__k__1___TwoPRep_s__0__s001__1___Ab__up_0.cc:(.text+0x3c): undefined reference to `std::ios_base::Init::Init()'
ld: CR_DerivGaussP1InKet_aB_l__0__k__1___TwoPRep_s__0__s001__1___Ab__up_0.cc:(.text+0x51): undefined reference to `std::ios_base::Init::~Init()'
ld: /home/jibiaoli/codes/cp2k-2023.1/tools/toolchain/build/libint-v2.6.0-cp2k-lmax-5/lib/.libs/libint2.a(CR_DerivGaussP0InBra_aB_f001__0__ps__1___TwoPRep_unit__0__s__1___Ab__up_0.o): in function `__sti__$E':
CR_DerivGaussP0InBra_aB_f001__0__ps__1___TwoPRep_unit__0__s__1___Ab__up_0.cc:(.text+0x3c): undefined reference to `std::ios_base::Init::Init()'
ld: CR_DerivGaussP0InBra_aB_f001__0__ps__1___TwoPRep_unit__0__s__1___Ab__up_0.cc:(.text+0x51): undefined reference to `std::ios_base::Init::~Init()'
ld: /home/jibiaoli/codes/cp2k-2023.1/tools/toolchain/build/libint-v2.6.0-cp2k-lmax-5/lib/.libs/libint2.a(CR_aB_s__0___CartesianMultipole_sB_2_c_1_c_0_Sb__d__0___Ab__up_.o): in function `__sti__$E':
CR_aB_s__0___CartesianMultipole_sB_2_c_1_c_0_Sb__d__0___Ab__up_.cc:(.text+0x11c): undefined reference to `std::ios_base::Init::Init()'
ld: CR_aB_s__0___CartesianMultipole_sB_2_c_1_c_0_Sb__d__0___Ab__up_.cc:(.text+0x131): undefined reference to `std::ios_base::Init::~Init()'
ld: /home/jibiaoli/codes/cp2k-2023.1/tools/toolchain/build/libint-v2.6.0-cp2k-lmax-5/lib/.libs/libint2.a(CR_DerivGaussP1InKet_aB_l__0__i__1___TwoPRep_s__0__s100__1___Ab__up_0.o): in function `__sti__$E':
CR_DerivGaussP1InKet_aB_l__0__i__1___TwoPRep_s__0__s100__1___Ab__up_0.cc:(.text+0x3c): undefined reference to `std::ios_base::Init::Init()'
ld: CR_DerivGaussP1InKet_aB_l__0__i__1___TwoPRep_s__0__s100__1___Ab__up_0.cc:(.text+0x51): undefined reference to `std::ios_base::Init::~Init()'
ld: /home/jibiaoli/codes/cp2k-2023.1/tools/toolchain/build/libint-v2.6.0-cp2k-lmax-5/lib/.libs/libint2.a(CR_aB_f__0___Kinetic_h__0___Ab__up_.o): in function `__sti__$E':
CR_aB_f__0___Kinetic_h__0___Ab__up_.cc:(.text+0x335c): undefined reference to `std::ios_base::Init::Init()'
ld: CR_aB_f__0___Kinetic_h__0___Ab__up_.cc:(.text+0x3371): undefined reference to `std::ios_base::Init::~Init()'
ld: /home/jibiaoli/codes/cp2k-2023.1/tools/toolchain/build/libint-v2.6.0-cp2k-lmax-5/lib/.libs/libint2.a(OSVRRP0InBra_aB_d001__0__h__1___TwoPRep_unit__0__unit__1___Ab__up_0.o): in function `__sti__$E':
OSVRRP0InBra_aB_d001__0__h__1___TwoPRep_unit__0__unit__1___Ab__up_0.cc:(.text+0x1c4c): undefined reference to `std::ios_base::Init::Init()'
ld: OSVRRP0InBra_aB_d001__0__h__1___TwoPRep_unit__0__unit__1___Ab__up_0.cc:(.text+0x1c61): undefined reference to `std::ios_base::Init::~Init()'
ld: /home/jibiaoli/codes/cp2k-2023.1/tools/toolchain/build/libint-v2.6.0-cp2k-lmax-5/lib/.libs/libint2.a(CR_aB_s__0___CartesianMultipole_sB_0_c_0_c_3_Sb__d__0___Ab__up_.o): in function `__sti__$E':
CR_aB_s__0___CartesianMultipole_sB_0_c_0_c_3_Sb__d__0___Ab__up_.cc:(.text+0x11c): undefined reference to `std::ios_base::Init::Init()'
ld: CR_aB_s__0___CartesianMultipole_sB_0_c_0_c_3_Sb__d__0___Ab__up_.cc:(.text+0x131): undefined reference to `std::ios_base::Init::~Init()'
ld: /home/jibiaoli/codes/cp2k-2023.1/tools/toolchain/build/libint-v2.6.0-cp2k-lmax-5/lib/.libs/libint2.a(CR_aB_s__0___CartesianMultipole_sB_0_c_1_c_2_Sb__d__0___Ab__up_.o): in function `__sti__$E':
CR_aB_s__0___CartesianMultipole_sB_0_c_1_c_2_Sb__d__0___Ab__up_.cc:(.text+0x12c): undefined reference to `std::ios_base::Init::Init()'
ld: CR_aB_s__0___CartesianMultipole_sB_0_c_1_c_2_Sb__d__0___Ab__up_.cc:(.text+0x141): undefined reference to `std::ios_base::Init::~Init()'
ld: /home/jibiaoli/codes/cp2k-2023.1/tools/toolchain/build/libint-v2.6.0-cp2k-lmax-5/lib/.libs/libint2.a(OSVRRP0InBra_aB_d100__0__h__1___TwoPRep_unit__0__unit__1___Ab__up_0.o): in function `__sti__$E':
OSVRRP0InBra_aB_d100__0__h__1___TwoPRep_unit__0__unit__1___Ab__up_0.cc:(.text+0x19dc): undefined reference to `std::ios_base::Init::Init()'
ld: OSVRRP0InBra_aB_d100__0__h__1___TwoPRep_unit__0__unit__1___Ab__up_0.cc:(.text+0x19f1): undefined reference to `std::ios_base::Init::~Init()'
ld: /home/jibiaoli/codes/cp2k-2023.1/tools/toolchain/build/libint-v2.6.0-cp2k-lmax-5/lib/.libs/libint2.a(CR_aB_s__0___CartesianMultipole_sB_2_c_0_c_1_Sb__d__0___Ab__up_.o): in function `__sti__$E':
CR_aB_s__0___CartesianMultipole_sB_2_c_0_c_1_Sb__d__0___Ab__up_.cc:(.text+0x11c): undefined reference to `std::ios_base::Init::Init()'
ld: CR_aB_s__0___CartesianMultipole_sB_2_c_0_c_1_Sb__d__0___Ab__up_.cc:(.text+0x131): undefined reference to `std::ios_base::Init::~Init()'
ld: /home/jibiaoli/codes/cp2k-2023.1/tools/toolchain/build/libint-v2.6.0-cp2k-lmax-5/lib/.libs/libint2.a(CR_aB_s__0___CartesianMultipole_sB_3_c_0_c_0_Sb__d__0___Ab__up_.o): in function `__sti__$E':
CR_aB_s__0___CartesianMultipole_sB_3_c_0_c_0_Sb__d__0___Ab__up_.cc:(.text+0x11c): undefined reference to `std::ios_base::Init::Init()'
ld: CR_aB_s__0___CartesianMultipole_sB_3_c_0_c_0_Sb__d__0___Ab__up_.cc:(.text+0x131): undefined reference to `std::ios_base::Init::~Init()'
make[1]: *** [Makefile:35: fortran_example] Error 1
make[1]: Leaving directory '/home/jibiaoli/codes/cp2k-2023.1/tools/toolchain/build/libint-v2.6.0-cp2k-lmax-5/fortran'
make: *** [Makefile:38: fortran] Error 1
Step libint took 824.00 seconds.

Best

Jibiao Li

To view this discussion on the web visit https://groups.google.com/d/msgid/cp2k/ZRAP278MB0827E6ED55560500737C2272F424A%40ZRAP278MB0827.CHEP278.PROD.OUTLOOK.COM.

[Krack Matthias]

From the provided information, it is not possible (at least for me) to guess what causes the errors. I can only suggest a clean install of cp2k completely from scratch and make sure that the Intel environment is initialized properly (sourcing of setvars.sh) before. If that does not work, then there is something “special” related to your system and/or environment. In that case, contact your system admins for help.

 

To view this discussion on the web visit https://groups.google.com/d/msgid/cp2k/CAAk9cEg7x6s%3DJ5H2VX7czeiDEQbzf80D5Kea2W1QggbQcONqKw%40mail.gmail.com.