[CP2K-user] [CP2K:19008] Compilation errors of cp2k 2023.1 on ubuntu 22.04

Jibiao Li science.sweden at gmail.com
Wed Jun 28 10:48:06 UTC 2023
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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

On Wed, 28 Jun 2023 at 15:42, Krack Matthias <matthias.krack at psi.ch> wrote:

> 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
>
>
>
> *From: *cp2k at googlegroups.com <cp2k at googlegroups.com> on behalf of Jibiao
> Li <science.sweden at gmail.com>
> *Date: *Wednesday, 28 June 2023 at 01:37
> *To: *cp2k at googlegroups.com <cp2k at googlegroups.com>
> *Subject: *[CP2K:18999] Compilation errors of cp2k 2023.1 on ubuntu 22.04
>
> 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
>
>
>
> --
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