<html xmlns:o="urn:schemas-microsoft-com:office:office" xmlns:w="urn:schemas-microsoft-com:office:word" xmlns:m="http://schemas.microsoft.com/office/2004/12/omml" xmlns="http://www.w3.org/TR/REC-html40"> <head> <meta http-equiv="Content-Type" content="text/html; charset=Windows-1252"> <meta name="Generator" content="Microsoft Word 15 (filtered medium)"> <style></style> </head> <body lang="en-CH" link="blue" vlink="purple" style="word-wrap:break-word"> <div class="WordSection1"> <p class="MsoNormal"><span lang="EN-US" style="font-size:11.0pt;mso-fareast-language:EN-US">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.<o:p></o:p></span></p> <p class="MsoNormal"><span lang="EN-US" style="font-size:11.0pt;mso-fareast-language:EN-US"><o:p> </o:p></span></p> <div id="mail-editor-reference-message-container"> <div> <div style="border:none;border-top:solid #B5C4DF 1.0pt;padding:3.0pt 0cm 0cm 0cm"> <p class="MsoNormal" style="mso-margin-top-alt:0cm;margin-right:0cm;margin-bottom:12.0pt;margin-left:36.0pt"> <b><span style="font-size:12.0pt;color:black">From: </span></b><span style="font-size:12.0pt;color:black">cp2k@googlegroups.com <cp2k@googlegroups.com> on behalf of Jibiao Li <science.sweden@gmail.com><br> <b>Date: </b>Wednesday, 28 June 2023 at 12:48<br> <b>To: </b>cp2k@googlegroups.com <cp2k@googlegroups.com><br> <b>Subject: </b>Re: [CP2K:19008] Compilation errors of cp2k 2023.1 on ubuntu 22.04<o:p></o:p></span></p> </div> <div> <div> <p class="MsoNormal" style="margin-left:36.0pt"><span style="font-size:11.0pt">Hi Matthias<o:p></o:p></span></p> </div> <div> <p class="MsoNormal" style="margin-left:36.0pt"><span style="font-size:11.0pt"><o:p> </o:p></span></p> </div> <div> <p class="MsoNormal" style="margin-left:36.0pt"><span style="font-size:11.0pt">I have reinstalled the oneAPI as you suggested. When I tried to run the command "</span><span style="font-size:11.0pt;font-family:Consolas;color:black">source arch/Linux-intel-x86_64.psmp</span><span style="font-size:11.0pt">", everything was fine except installing libint. Any idea to resolve this problem? <o:p></o:p></span></p> </div> <div> <p class="MsoNormal" style="margin-left:36.0pt"><span style="font-size:11.0pt"><o:p> </o:p></span></p> </div> <p class="MsoNormal" style="margin-left:36.0pt"><span style="font-size:11.0pt">==================== Installing LIBINT ====================<br> libint-v2.6.0-cp2k-lmax-5.tgz: OK<br> Checksum of libint-v2.6.0-cp2k-lmax-5.tgz Ok<br> Installing from scratch into /home/jibiaoli/codes/cp2k-2023.1/tools/toolchain/install/libint-v2.6.0-cp2k-lmax-5<br> 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()'<br> 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()'<br> 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__$E':<br> CR_DerivGaussP0InBra_aB_i001__0__ps__1___TwoPRep_unit__0__s__1___Ab__up_0.cc:(.text+0x3c): undefined reference to `std::ios_base::Init::Init()'<br> ld: CR_DerivGaussP0InBra_aB_i001__0__ps__1___TwoPRep_unit__0__s__1___Ab__up_0.cc:(.text+0x51): undefined reference to `std::ios_base::Init::~Init()'<br> ld: /home/jibiaoli/codes/cp2k-2023.1/tools/toolchain/build/libint-v2.6.0-cp2k-lmax-5/lib/.libs/libint2.a(CR_DerivGaussP1InKet_aB_l__0__i__1___TwoPRep_s__0__s010__1___Ab__up_0.o): in function `__sti__$E':<br> 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()'<br> 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()'<br> 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__$E':<br> OSVRRP0InBra_aB_i__0__s__1___TwoPRep_s__0__s__1___Ab__up_0.cc:(.text+0x69c): undefined reference to `std::ios_base::Init::Init()'<br> ld: OSVRRP0InBra_aB_i__0__s__1___TwoPRep_s__0__s__1___Ab__up_0.cc:(.text+0x6b1): undefined reference to `std::ios_base::Init::~Init()'<br> ld: /home/jibiaoli/codes/cp2k-2023.1/tools/toolchain/build/libint-v2.6.0-cp2k-lmax-5/lib/.libs/libint2.a(CR_DerivGaussP0InBra_aB_f100__0__i__1___TwoPRep_unit__0__unit__1___Ab__up_0.o): in function `__sti__$E':<br> 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()'<br> 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()'<br> 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__$E':<br> CR_aB_h__0___Kinetic_p__0___Ab__up_.cc:(.text+0x119c): undefined reference to `std::ios_base::Init::Init()'<br> ld: CR_aB_h__0___Kinetic_p__0___Ab__up_.cc:(.text+0x11b1): undefined reference to `std::ios_base::Init::~Init()'<br> ld: /home/jibiaoli/codes/cp2k-2023.1/tools/toolchain/build/libint-v2.6.0-cp2k-lmax-5/lib/.libs/libint2.a(CR_DerivGaussP0InBra_aB_h100__0__g__1___TwoPRep_unit__0__unit__1___Ab__up_0.o): in function `__sti__$E':<br> 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()'<br> 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()'<br> 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__$E':<br> CR_aB_f__0___CartesianMultipole_sB_2_c_0_c_0_Sb__f__0___Ab__up_.cc:(.text+0xa4c): undefined reference to `std::ios_base::Init::Init()'<br> ld: CR_aB_f__0___CartesianMultipole_sB_2_c_0_c_0_Sb__f__0___Ab__up_.cc:(.text+0xa61): undefined reference to `std::ios_base::Init::~Init()'<br> ld: /home/jibiaoli/codes/cp2k-2023.1/tools/toolchain/build/libint-v2.6.0-cp2k-lmax-5/lib/.libs/libint2.a(OSVRRSMultipole_aB_ps__0___SphericalMultipole_sB_1_c_1_Sb__s__0___Ab__up_.o): in function `__sti__$E':<br> 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()'<br> 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()'<br> 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__$E':<br> OSVRRElecPotInBra_aB_m__0___ElecPot_s__0___Ab__up_0.cc:(.text+0xcdc): undefined reference to `std::ios_base::Init::Init()'<br> ld: OSVRRElecPotInBra_aB_m__0___ElecPot_s__0___Ab__up_0.cc:(.text+0xcf1): undefined reference to `std::ios_base::Init::~Init()'<br> ld: /home/jibiaoli/codes/cp2k-2023.1/tools/toolchain/build/libint-v2.6.0-cp2k-lmax-5/lib/.libs/libint2.a(CR_aB_s__0___CartesianMultipole_sB_1_c_0_c_2_Sb__d__0___Ab__up_.o): in function `__sti__$E':<br> 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()'<br> 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()'<br> 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__$E':<br> CR_DerivGaussP0InBra_aB_l100__0__i__1___TwoPRep_s__0__s__1___Ab__up_0.cc:(.text+0x3c): undefined reference to `std::ios_base::Init::Init()'<br> ld: CR_DerivGaussP0InBra_aB_l100__0__i__1___TwoPRep_s__0__s__1___Ab__up_0.cc:(.text+0x51): undefined reference to `std::ios_base::Init::~Init()'<br> ld: /home/jibiaoli/codes/cp2k-2023.1/tools/toolchain/build/libint-v2.6.0-cp2k-lmax-5/lib/.libs/libint2.a(OSVRRP0InBra_aB_ps__0__h__1___TwoPRep_s__0__s__1___Ab__up_0.o): in function `__sti__$E':<br> 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()'<br> 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()'<br> 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__$E':<br> CR_DerivGaussP0InBra_aB_h010__0__i__1___TwoPRep_unit__0__unit__1___Ab__up_0.cc:(.text+0x485c): undefined reference to `std::ios_base::Init::Init()'<br> ld: CR_DerivGaussP0InBra_aB_h010__0__i__1___TwoPRep_unit__0__unit__1___Ab__up_0.cc:(.text+0x4871): undefined reference to `std::ios_base::Init::~Init()'<br> ld: /home/jibiaoli/codes/cp2k-2023.1/tools/toolchain/build/libint-v2.6.0-cp2k-lmax-5/lib/.libs/libint2.a(OSVRRSMultipole_aB_ps__0___SphericalMultipole_sB_2_c_0_Sb__s__0___Ab__up_.o): in function `__sti__$E':<br> 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()'<br> 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()'<br> 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__$E':<br> CR_DerivGaussP0InKet_aB_l__0__i__1___TwoPRep_s010__0__s__1___Ab__up_0.cc:(.text+0x3c): undefined reference to `std::ios_base::Init::Init()'<br> ld: CR_DerivGaussP0InKet_aB_l__0__i__1___TwoPRep_s010__0__s__1___Ab__up_0.cc:(.text+0x51): undefined reference to `std::ios_base::Init::~Init()'<br> ld: /home/jibiaoli/codes/cp2k-2023.1/tools/toolchain/build/libint-v2.6.0-cp2k-lmax-5/lib/.libs/libint2.a(CR_aB_s__0___CartesianMultipole_sB_0_c_2_c_0_Sb__s__0___Ab__up_.o): in function `__sti__$E':<br> 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()'<br> 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()'<br> 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__$E':<br> CR_DerivGaussP1InKet_aB_k__0__l__1___TwoPRep_s__0__s010__1___Ab__up_0.cc:(.text+0x3c): undefined reference to `std::ios_base::Init::Init()'<br> ld: CR_DerivGaussP1InKet_aB_k__0__l__1___TwoPRep_s__0__s010__1___Ab__up_0.cc:(.text+0x51): undefined reference to `std::ios_base::Init::~Init()'<br> ld: /home/jibiaoli/codes/cp2k-2023.1/tools/toolchain/build/libint-v2.6.0-cp2k-lmax-5/lib/.libs/libint2.a(CR_DerivGaussP0InBra_aB_l100__0__h__1___TwoPRep_s__0__s__1___Ab__up_0.o): in function `__sti__$E':<br> 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()'<br> 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()'<br> 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__$E':<br> CR_aB_h__0___Kinetic_f__0___Ab__up_.cc:(.text+0x325c): undefined reference to `std::ios_base::Init::Init()'<br> ld: CR_aB_h__0___Kinetic_f__0___Ab__up_.cc:(.text+0x3271): undefined reference to `std::ios_base::Init::~Init()'<br> ld: /home/jibiaoli/codes/cp2k-2023.1/tools/toolchain/build/libint-v2.6.0-cp2k-lmax-5/lib/.libs/libint2.a(CR_aB_f__0___CartesianMultipole_sB_0_c_3_c_0_Sb__p__0___Ab__up_.o): in function `__sti__$E':<br> 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()'<br> 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()'<br> 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__$E':<br> CR_aB_s__0___CartesianMultipole_sB_0_c_3_c_0_Sb__d__0___Ab__up_.cc:(.text+0x11c): undefined reference to `std::ios_base::Init::Init()'<br> ld: CR_aB_s__0___CartesianMultipole_sB_0_c_3_c_0_Sb__d__0___Ab__up_.cc:(.text+0x131): undefined reference to `std::ios_base::Init::~Init()'<br> ld: /home/jibiaoli/codes/cp2k-2023.1/tools/toolchain/build/libint-v2.6.0-cp2k-lmax-5/lib/.libs/libint2.a(CR_aB_s__0___CartesianMultipole_sB_1_c_1_c_1_Sb__d__0___Ab__up_.o): in function `__sti__$E':<br> 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()'<br> 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()'<br> 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__$E':<br> CR_DerivGaussP0InKet_aB_l__0__h__1___TwoPRep_s001__0__s__1___Ab__up_0.cc:(.text+0x3c): undefined reference to `std::ios_base::Init::Init()'<br> ld: CR_DerivGaussP0InKet_aB_l__0__h__1___TwoPRep_s001__0__s__1___Ab__up_0.cc:(.text+0x51): undefined reference to `std::ios_base::Init::~Init()'<br> ld: /home/jibiaoli/codes/cp2k-2023.1/tools/toolchain/build/libint-v2.6.0-cp2k-lmax-5/lib/.libs/libint2.a(CR_DerivGaussP0InBra_aB_l100__0__l__1___TwoPRep_s__0__s__1___Ab__up_0.o): in function `__sti__$E':<br> 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()'<br> 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()'<br> 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__$E':<br> OSVRRSMultipole_aB_ps__0___SphericalMultipole_sB_3_c_3_Sb__s__0___Ab__up_.cc:(.text+0xa4c): undefined reference to `std::ios_base::Init::Init()'<br> ld: OSVRRSMultipole_aB_ps__0___SphericalMultipole_sB_3_c_3_Sb__s__0___Ab__up_.cc:(.text+0xa61): undefined reference to `std::ios_base::Init::~Init()'<br> ld: /home/jibiaoli/codes/cp2k-2023.1/tools/toolchain/build/libint-v2.6.0-cp2k-lmax-5/lib/.libs/libint2.a(CR_aB_s__0___CartesianMultipole_sB_1_c_0_c_0_Sb__s__0___Ab__up_.o): in function `__sti__$E':<br> 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()'<br> 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()'<br> 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__$E':<br> CR_DerivGaussP0InKet_aB_l__0__g__1___TwoPRep_s001__0__s__1___Ab__up_0.cc:(.text+0x422c): undefined reference to `std::ios_base::Init::Init()'<br> ld: CR_DerivGaussP0InKet_aB_l__0__g__1___TwoPRep_s001__0__s__1___Ab__up_0.cc:(.text+0x4241): undefined reference to `std::ios_base::Init::~Init()'<br> ld: /home/jibiaoli/codes/cp2k-2023.1/tools/toolchain/build/libint-v2.6.0-cp2k-lmax-5/lib/.libs/libint2.a(OSVRRP1InBra_aB_g010__0__p__1___TwoPRep_unit__0__unit__1___Ab__up_0.o): in function `__sti__$E':<br> 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()'<br> 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()'<br> 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__$E':<br> OSVRRSMultipole_aB_ps__0___SphericalMultipole_sB_4_c_3_Sb__s__0___Ab__up_.cc:(.text+0xb7c): undefined reference to `std::ios_base::Init::Init()'<br> ld: OSVRRSMultipole_aB_ps__0___SphericalMultipole_sB_4_c_3_Sb__s__0___Ab__up_.cc:(.text+0xb91): undefined reference to `std::ios_base::Init::~Init()'<br> ld: /home/jibiaoli/codes/cp2k-2023.1/tools/toolchain/build/libint-v2.6.0-cp2k-lmax-5/lib/.libs/libint2.a(CR_DerivGaussP0InKet_aB_l__0__i__1___TwoPRep_s001__0__s__1___Ab__up_0.o): in function `__sti__$E':<br> 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()'<br> 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()'<br> 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__$E':<br> CR_DerivGaussP0InBra_aB_f001__0__i__1___TwoPRep_unit__0__unit__1___Ab__up_0.cc:(.text+0x204c): undefined reference to `std::ios_base::Init::Init()'<br> ld: CR_DerivGaussP0InBra_aB_f001__0__i__1___TwoPRep_unit__0__unit__1___Ab__up_0.cc:(.text+0x2061): undefined reference to `std::ios_base::Init::~Init()'<br> ld: /home/jibiaoli/codes/cp2k-2023.1/tools/toolchain/build/libint-v2.6.0-cp2k-lmax-5/lib/.libs/libint2.a(CR_DerivGaussP1InKet_aB_l__0__h__1___TwoPRep_s__0__s100__1___Ab__up_0.o): in function `__sti__$E':<br> 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()'<br> 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()'<br> 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__$E':<br> CR_aB_d__0___CartesianMultipole_sB_2_c_0_c_0_Sb__g__0___Ab__up_.cc:(.text+0x94c): undefined reference to `std::ios_base::Init::Init()'<br> ld: CR_aB_d__0___CartesianMultipole_sB_2_c_0_c_0_Sb__g__0___Ab__up_.cc:(.text+0x961): undefined reference to `std::ios_base::Init::~Init()'<br> ld: /home/jibiaoli/codes/cp2k-2023.1/tools/toolchain/build/libint-v2.6.0-cp2k-lmax-5/lib/.libs/libint2.a(CR_aB_d__0___CartesianMultipole_sB_1_c_2_c_0_Sb__g__0___Ab__up_.o): in function `__sti__$E':<br> 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()'<br> 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()'<br> 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__$E':<br> CR_DerivGaussP0InBra_aB_f001__0__h__1___TwoPRep_unit__0__unit__1___Ab__up_0.cc:(.text+0x17cc): undefined reference to `std::ios_base::Init::Init()'<br> ld: CR_DerivGaussP0InBra_aB_f001__0__h__1___TwoPRep_unit__0__unit__1___Ab__up_0.cc:(.text+0x17e1): undefined reference to `std::ios_base::Init::~Init()'<br> ld: /home/jibiaoli/codes/cp2k-2023.1/tools/toolchain/build/libint-v2.6.0-cp2k-lmax-5/lib/.libs/libint2.a(OSVRRP0InBra_aB_d100__0__g__1___TwoPRep_unit__0__unit__1___Ab__up_0.o): in function `__sti__$E':<br> 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()'<br> 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()'<br> 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__$E':<br> CR_DerivGaussP1InKet_aB_l__0__l__1___TwoPRep_s__0__s100__1___Ab__up_0.cc:(.text+0x3c): undefined reference to `std::ios_base::Init::Init()'<br> ld: CR_DerivGaussP1InKet_aB_l__0__l__1___TwoPRep_s__0__s100__1___Ab__up_0.cc:(.text+0x51): undefined reference to `std::ios_base::Init::~Init()'<br> ld: /home/jibiaoli/codes/cp2k-2023.1/tools/toolchain/build/libint-v2.6.0-cp2k-lmax-5/lib/.libs/libint2.a(CR_aB_s__0___Kinetic_s__0___Ab__up_.o): in function `__sti__$E':<br> CR_aB_s__0___Kinetic_s__0___Ab__up_.cc:(.text+0x5c): undefined reference to `std::ios_base::Init::Init()'<br> ld: CR_aB_s__0___Kinetic_s__0___Ab__up_.cc:(.text+0x71): undefined reference to `std::ios_base::Init::~Init()'<br> 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__$E':<br> CR_aB_f__0___CartesianMultipole_sB_0_c_3_c_0_Sb__f__0___Ab__up_.cc:(.text+0xadc): undefined reference to `std::ios_base::Init::Init()'<br> ld: CR_aB_f__0___CartesianMultipole_sB_0_c_3_c_0_Sb__f__0___Ab__up_.cc:(.text+0xaf1): undefined reference to `std::ios_base::Init::~Init()'<br> ld: /home/jibiaoli/codes/cp2k-2023.1/tools/toolchain/build/libint-v2.6.0-cp2k-lmax-5/lib/.libs/libint2.a(CR_aB_s__0___CartesianMultipole_sB_1_c_2_c_0_Sb__d__0___Ab__up_.o): in function `__sti__$E':<br> 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()'<br> 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()'<br> 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__$E':<br> CR_DerivGaussP0InKet_aB_l__0__g__1___TwoPRep_s010__0__s__1___Ab__up_0.cc:(.text+0x422c): undefined reference to `std::ios_base::Init::Init()'<br> ld: CR_DerivGaussP0InKet_aB_l__0__g__1___TwoPRep_s010__0__s__1___Ab__up_0.cc:(.text+0x4241): undefined reference to `std::ios_base::Init::~Init()'<br> ld: /home/jibiaoli/codes/cp2k-2023.1/tools/toolchain/build/libint-v2.6.0-cp2k-lmax-5/lib/.libs/libint2.a(CR_DerivGaussP0InBra_aB_f010__0__i__1___TwoPRep_unit__0__unit__1___Ab__up_0.o): in function `__sti__$E':<br> 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()'<br> 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()'<br> 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__$E':<br> CR_aB_d__0___CartesianMultipole_sB_1_c_0_c_2_Sb__g__0___Ab__up_.cc:(.text+0x9fc): undefined reference to `std::ios_base::Init::Init()'<br> ld: CR_aB_d__0___CartesianMultipole_sB_1_c_0_c_2_Sb__g__0___Ab__up_.cc:(.text+0xa11): undefined reference to `std::ios_base::Init::~Init()'<br> ld: /home/jibiaoli/codes/cp2k-2023.1/tools/toolchain/build/libint-v2.6.0-cp2k-lmax-5/lib/.libs/libint2.a(CR_DerivGaussP0InBra_aB_l001__0__h__1___TwoPRep_s__0__s__1___Ab__up_0.o): in function `__sti__$E':<br> 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()'<br> 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()'<br> 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__$E':<br> CR_DerivGaussP0InBra_aB_l001__0__i__1___TwoPRep_s__0__s__1___Ab__up_0.cc:(.text+0x3c): undefined reference to `std::ios_base::Init::Init()'<br> ld: CR_DerivGaussP0InBra_aB_l001__0__i__1___TwoPRep_s__0__s__1___Ab__up_0.cc:(.text+0x51): undefined reference to `std::ios_base::Init::~Init()'<br> ld: /home/jibiaoli/codes/cp2k-2023.1/tools/toolchain/build/libint-v2.6.0-cp2k-lmax-5/lib/.libs/libint2.a(OSVRRP0InBra_aB_p100__0__l__1___TwoPRep_s__0__s__1___Ab__up_0.o): in function `__sti__$E':<br> 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()'<br> 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()'<br> 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__$E':<br> CR_aB_s__0___CartesianMultipole_sB_0_c_2_c_1_Sb__d__0___Ab__up_.cc:(.text+0x11c): undefined reference to `std::ios_base::Init::Init()'<br> ld: CR_aB_s__0___CartesianMultipole_sB_0_c_2_c_1_Sb__d__0___Ab__up_.cc:(.text+0x131): undefined reference to `std::ios_base::Init::~Init()'<br> ld: /home/jibiaoli/codes/cp2k-2023.1/tools/toolchain/build/libint-v2.6.0-cp2k-lmax-5/lib/.libs/libint2.a(CR_DerivGaussP0InBra_aB_l010__0__h__1___TwoPRep_s__0__s__1___Ab__up_0.o): in function `__sti__$E':<br> 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()'<br> 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()'<br> 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__$E':<br> CR_aB_s__0___CartesianMultipole_sB_1_c_1_c_1_Sb__s__0___Ab__up_.cc:(.text+0x5c): undefined reference to `std::ios_base::Init::Init()'<br> ld: CR_aB_s__0___CartesianMultipole_sB_1_c_1_c_1_Sb__s__0___Ab__up_.cc:(.text+0x71): undefined reference to `std::ios_base::Init::~Init()'<br> ld: /home/jibiaoli/codes/cp2k-2023.1/tools/toolchain/build/libint-v2.6.0-cp2k-lmax-5/lib/.libs/libint2.a(CR_DerivGaussP0InBra_aB_l001__0__l__1___TwoPRep_s__0__s__1___Ab__up_0.o): in function `__sti__$E':<br> 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()'<br> 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()'<br> 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__$E':<br> CR_aB_s__0___Kinetic_h__0___Ab__up_.cc:(.text+0x60c): undefined reference to `std::ios_base::Init::Init()'<br> ld: CR_aB_s__0___Kinetic_h__0___Ab__up_.cc:(.text+0x621): undefined reference to `std::ios_base::Init::~Init()'<br> ld: /home/jibiaoli/codes/cp2k-2023.1/tools/toolchain/build/libint-v2.6.0-cp2k-lmax-5/lib/.libs/libint2.a(CR_aB_s__0___CartesianMultipole_sB_0_c_2_c_1_Sb__s__0___Ab__up_.o): in function `__sti__$E':<br> 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()'<br> 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()'<br> 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__$E':<br> CR_aB_d__0___CartesianMultipole_sB_1_c_1_c_1_Sb__g__0___Ab__up_.cc:(.text+0x9fc): undefined reference to `std::ios_base::Init::Init()'<br> ld: CR_aB_d__0___CartesianMultipole_sB_1_c_1_c_1_Sb__g__0___Ab__up_.cc:(.text+0xa11): undefined reference to `std::ios_base::Init::~Init()'<br> ld: /home/jibiaoli/codes/cp2k-2023.1/tools/toolchain/build/libint-v2.6.0-cp2k-lmax-5/lib/.libs/libint2.a(CR_aB_d__0___CartesianMultipole_sB_0_c_1_c_2_Sb__g__0___Ab__up_.o): in function `__sti__$E':<br> 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()'<br> 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()'<br> 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__$E':<br> CR_DerivGaussP1InKet_aB_l__0__k__1___TwoPRep_s__0__s001__1___Ab__up_0.cc:(.text+0x3c): undefined reference to `std::ios_base::Init::Init()'<br> ld: CR_DerivGaussP1InKet_aB_l__0__k__1___TwoPRep_s__0__s001__1___Ab__up_0.cc:(.text+0x51): undefined reference to `std::ios_base::Init::~Init()'<br> ld: /home/jibiaoli/codes/cp2k-2023.1/tools/toolchain/build/libint-v2.6.0-cp2k-lmax-5/lib/.libs/libint2.a(CR_DerivGaussP0InBra_aB_f001__0__ps__1___TwoPRep_unit__0__s__1___Ab__up_0.o): in function `__sti__$E':<br> 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()'<br> 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()'<br> 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__$E':<br> CR_aB_s__0___CartesianMultipole_sB_2_c_1_c_0_Sb__d__0___Ab__up_.cc:(.text+0x11c): undefined reference to `std::ios_base::Init::Init()'<br> ld: CR_aB_s__0___CartesianMultipole_sB_2_c_1_c_0_Sb__d__0___Ab__up_.cc:(.text+0x131): undefined reference to `std::ios_base::Init::~Init()'<br> ld: /home/jibiaoli/codes/cp2k-2023.1/tools/toolchain/build/libint-v2.6.0-cp2k-lmax-5/lib/.libs/libint2.a(CR_DerivGaussP1InKet_aB_l__0__i__1___TwoPRep_s__0__s100__1___Ab__up_0.o): in function `__sti__$E':<br> 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()'<br> 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()'<br> 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__$E':<br> CR_aB_f__0___Kinetic_h__0___Ab__up_.cc:(.text+0x335c): undefined reference to `std::ios_base::Init::Init()'<br> ld: CR_aB_f__0___Kinetic_h__0___Ab__up_.cc:(.text+0x3371): undefined reference to `std::ios_base::Init::~Init()'<br> ld: /home/jibiaoli/codes/cp2k-2023.1/tools/toolchain/build/libint-v2.6.0-cp2k-lmax-5/lib/.libs/libint2.a(OSVRRP0InBra_aB_d001__0__h__1___TwoPRep_unit__0__unit__1___Ab__up_0.o): in function `__sti__$E':<br> 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()'<br> 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()'<br> 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__$E':<br> CR_aB_s__0___CartesianMultipole_sB_0_c_0_c_3_Sb__d__0___Ab__up_.cc:(.text+0x11c): undefined reference to `std::ios_base::Init::Init()'<br> ld: CR_aB_s__0___CartesianMultipole_sB_0_c_0_c_3_Sb__d__0___Ab__up_.cc:(.text+0x131): undefined reference to `std::ios_base::Init::~Init()'<br> ld: /home/jibiaoli/codes/cp2k-2023.1/tools/toolchain/build/libint-v2.6.0-cp2k-lmax-5/lib/.libs/libint2.a(CR_aB_s__0___CartesianMultipole_sB_0_c_1_c_2_Sb__d__0___Ab__up_.o): in function `__sti__$E':<br> 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()'<br> 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()'<br> 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__$E':<br> OSVRRP0InBra_aB_d100__0__h__1___TwoPRep_unit__0__unit__1___Ab__up_0.cc:(.text+0x19dc): undefined reference to `std::ios_base::Init::Init()'<br> ld: OSVRRP0InBra_aB_d100__0__h__1___TwoPRep_unit__0__unit__1___Ab__up_0.cc:(.text+0x19f1): undefined reference to `std::ios_base::Init::~Init()'<br> ld: /home/jibiaoli/codes/cp2k-2023.1/tools/toolchain/build/libint-v2.6.0-cp2k-lmax-5/lib/.libs/libint2.a(CR_aB_s__0___CartesianMultipole_sB_2_c_0_c_1_Sb__d__0___Ab__up_.o): in function `__sti__$E':<br> 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()'<br> 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()'<br> 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':<br> 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()'<br> 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()'<br> make[1]: *** [Makefile:35: fortran_example] Error 1<br> make[1]: Leaving directory '/home/jibiaoli/codes/cp2k-2023.1/tools/toolchain/build/libint-v2.6.0-cp2k-lmax-5/fortran'<br> make: *** [Makefile:38: fortran] Error 1<br> Step libint took 824.00 seconds.<o:p></o:p></span></p> <div> <p class="MsoNormal" style="margin-left:36.0pt"><span style="font-size:11.0pt"><o:p> </o:p></span></p> </div> <div> <p class="MsoNormal" style="margin-left:36.0pt"><span style="font-size:11.0pt">Best<o:p></o:p></span></p> </div> <div> <p class="MsoNormal" style="margin-left:36.0pt"><span style="font-size:11.0pt"><o:p> </o:p></span></p> </div> <div> <p class="MsoNormal" style="margin-left:36.0pt"><span style="font-size:11.0pt">Jibiao Li<o:p></o:p></span></p> </div> </div> <p class="MsoNormal" style="margin-left:36.0pt"><span style="font-size:11.0pt"><o:p> </o:p></span></p> <div> <div> <p class="MsoNormal" style="margin-left:36.0pt"><span style="font-size:11.0pt">On Wed, 28 Jun 2023 at 15:42, Krack Matthias <<a href="mailto:matthias.krack@psi.ch">matthias.krack@psi.ch</a>> wrote:<o:p></o:p></span></p> </div> <blockquote style="border:none;border-left:solid #CCCCCC 1.0pt;padding:0cm 0cm 0cm 6.0pt;margin-left:4.8pt;margin-right:0cm"> <div> <div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:36.0pt"> <span lang="EN-US" style="font-size:12.0pt;color:black">Hi</span><span style="font-size:11.0pt"><o:p></o:p></span></p> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:36.0pt"> <span lang="EN-US" style="font-size:12.0pt;color:black"> </span><span style="font-size:11.0pt"><o:p></o:p></span></p> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:36.0pt"> <span lang="EN-US" style="font-size:12.0pt;color:black">The suggested install procedure with the Intel Classic compilers version 2021.9.0 available with Intel oneAPI 2023.1 is</span><span style="font-size:11.0pt"><o:p></o:p></span></p> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:36.0pt"> <span lang="EN-US" style="font-size:12.0pt;color:black"> </span><span style="font-size:11.0pt"><o:p></o:p></span></p> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:36.0pt"> <span lang="EN-US" style="font-size:11.0pt;font-family:Consolas">git clone --recursive -b support/v2023.1 <a href="https://github.com/cp2k/cp2k.git" target="_blank">https://github.com/cp2k/cp2k.git</a> cp2k</span><span style="font-size:11.0pt"><o:p></o:p></span></p> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:36.0pt"> <span lang="EN-US" style="font-size:11.0pt;font-family:Consolas;color:black">cd cp2k</span><span style="font-size:11.0pt"><o:p></o:p></span></p> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:36.0pt"> <span lang="EN-US" style="font-size:11.0pt;font-family:Consolas;color:black">source arch/Linux-intel-x86_64.psmp</span><span style="font-size:11.0pt"><o:p></o:p></span></p> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:36.0pt"> <span lang="EN-US" style="font-size:11.0pt;font-family:Consolas;color:black">make -j ARCH=Linux-intel-x86_64 VERSION=psmp</span><span style="font-size:11.0pt"><o:p></o:p></span></p> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:36.0pt"> <span lang="EN-US" style="font-size:12.0pt;color:black"> </span><span style="font-size:11.0pt"><o:p></o:p></span></p> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:36.0pt"> <span lang="EN-US" style="font-size:12.0pt;color:black">HTH</span><span style="font-size:11.0pt"><o:p></o:p></span></p> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:36.0pt"> <span lang="EN-US" style="font-size:12.0pt;color:black"> </span><span style="font-size:11.0pt"><o:p></o:p></span></p> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:36.0pt"> <span lang="EN-US" style="font-size:12.0pt;color:black">Matthias</span><span style="font-size:11.0pt"><o:p></o:p></span></p> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:36.0pt"> <span lang="EN-US" style="font-size:11.0pt"> </span><span style="font-size:11.0pt"><o:p></o:p></span></p> <div id="m_-2142726475262469553mail-editor-reference-message-container"> <div> <div style="border:none;border-top:solid #B5C4DF 1.0pt;padding:3.0pt 0cm 0cm 0cm"> <p class="MsoNormal" style="mso-margin-top-alt:auto;margin-bottom:12.0pt;margin-left:72.0pt"> <b><span style="font-size:12.0pt;color:black">From: </span></b><span style="font-size:12.0pt;color:black"><a href="mailto:cp2k@googlegroups.com" target="_blank">cp2k@googlegroups.com</a> <<a href="mailto:cp2k@googlegroups.com" target="_blank">cp2k@googlegroups.com</a>> on behalf of Jibiao Li <<a href="mailto:science.sweden@gmail.com" target="_blank">science.sweden@gmail.com</a>><br> <b>Date: </b>Wednesday, 28 June 2023 at 01:37<br> <b>To: </b><a href="mailto:cp2k@googlegroups.com" target="_blank">cp2k@googlegroups.com</a> <<a href="mailto:cp2k@googlegroups.com" target="_blank">cp2k@googlegroups.com</a>><br> <b>Subject: </b>[CP2K:18999] Compilation errors of cp2k 2023.1 on ubuntu 22.04</span><span style="font-size:11.0pt"><o:p></o:p></span></p> </div> <div> <div> <div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:72.0pt"> <span style="font-size:10.5pt;font-family:"Lucida Grande",sans-serif;color:black">Hi all,</span><span style="font-size:11.0pt"><o:p></o:p></span></p> </div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:72.0pt"> <span style="font-size:11.0pt"> <o:p></o:p></span></p> </div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:72.0pt"> <span style="font-size:10.5pt;font-family:"Lucida Grande",sans-serif;color:black">I am new to both linux and cp2k. Everything can not be continued without your help!</span><span style="font-size:11.0pt"><o:p></o:p></span></p> </div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:72.0pt"> <span style="font-size:11.0pt"> <o:p></o:p></span></p> </div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:72.0pt"> <span style="font-size:10.5pt;font-family:"Lucida Grande",sans-serif;color:black">I got the code with the following command: "git clone -b support/v2023.1 --recursive </span><span style="font-size:11.0pt"><a href="https://github.com/cp2k/cp2k.git" target="_blank"><span style="font-size:10.5pt;font-family:"Lucida Grande",sans-serif;color:#1E5494">https://github.com/cp2k/cp2k.git</span></a></span><span style="font-size:10.5pt;font-family:"Lucida Grande",sans-serif;color:black"> cp2k". </span><span style="font-size:11.0pt"><o:p></o:p></span></p> </div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:72.0pt"> <span style="font-size:11.0pt"> <o:p></o:p></span></p> </div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:72.0pt"> <span style="font-size:10.5pt;font-family:"Lucida Grande",sans-serif;color:black">I tried to run the toolchain script by the following options:</span><span style="font-size:11.0pt"><o:p></o:p></span></p> </div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:72.0pt"> <span style="font-size:10.5pt;font-family:"Lucida Grande",sans-serif;color:black">./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</span><span style="font-size:11.0pt"><o:p></o:p></span></p> </div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:72.0pt"> <span style="font-size:11.0pt"> <o:p></o:p></span></p> </div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:72.0pt"> <span style="font-size:10.5pt;font-family:"Lucida Grande",sans-serif;color:black">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:</span><span style="font-size:11.0pt"><o:p></o:p></span></p> </div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:72.0pt"> <span style="font-size:11.0pt"> <o:p></o:p></span></p> </div> <div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:72.0pt"> <span style="font-size:10.5pt;font-family:"Lucida Grande",sans-serif;color:black">/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</span><span style="font-size:11.0pt"><o:p></o:p></span></p> </div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:72.0pt"> <span style="font-size:10.5pt;font-family:"Lucida Grande",sans-serif;color:black">remark #11074: Inlining inhibited by limit max-size </span><span style="font-size:11.0pt"><o:p></o:p></span></p> </div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:72.0pt"> <span style="font-size:10.5pt;font-family:"Lucida Grande",sans-serif;color:black">remark #11076: To get full report use -qopt-report=4 -qopt-report-phase ipo</span><span style="font-size:11.0pt"><o:p></o:p></span></p> </div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:72.0pt"> <span style="font-size:10.5pt;font-family:"Lucida Grande",sans-serif;color:black">/home/jibiaoli/codes/cp2k-2023.1/src/dbm/dbm_matrix.c(327): error #279: controlling expression is constant</span><span style="font-size:11.0pt"><o:p></o:p></span></p> </div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:72.0pt"> <span style="font-size:10.5pt;font-family:"Lucida Grande",sans-serif;color:black"> assert(omp_get_num_threads() == omp_get_max_threads() &&</span><span style="font-size:11.0pt"><o:p></o:p></span></p> </div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:72.0pt"> <span style="font-size:10.5pt;font-family:"Lucida Grande",sans-serif;color:black"> ^</span><span style="font-size:11.0pt"><o:p></o:p></span></p> </div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:72.0pt"> <span style="font-size:11.0pt"> <o:p></o:p></span></p> </div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:72.0pt"> <span style="font-size:10.5pt;font-family:"Lucida Grande",sans-serif;color:black">/home/jibiaoli/codes/cp2k-2023.1/src/dbm/dbm_matrix.c(427): error #279: controlling expression is constant</span><span style="font-size:11.0pt"><o:p></o:p></span></p> </div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:72.0pt"> <span style="font-size:10.5pt;font-family:"Lucida Grande",sans-serif;color:black"> assert(omp_get_num_threads() == omp_get_max_threads() &&</span><span style="font-size:11.0pt"><o:p></o:p></span></p> </div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:72.0pt"> <span style="font-size:10.5pt;font-family:"Lucida Grande",sans-serif;color:black"> ^</span><span style="font-size:11.0pt"><o:p></o:p></span></p> </div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:72.0pt"> <span style="font-size:11.0pt"> <o:p></o:p></span></p> </div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:72.0pt"> <span style="font-size:10.5pt;font-family:"Lucida Grande",sans-serif;color:black">/home/jibiaoli/codes/cp2k-2023.1/tools/build_utils/fypp -n /home/jibiaoli/codes/cp2k-2023.1/src/motion/dumpdcd.F dumpdcd.F90</span><span style="font-size:11.0pt"><o:p></o:p></span></p> </div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:72.0pt"> <span style="font-size:10.5pt;font-family:"Lucida Grande",sans-serif;color:black">compilation aborted for /home/jibiaoli/codes/cp2k-2023.1/src/dbm/dbm_matrix.c (code 2)</span><span style="font-size:11.0pt"><o:p></o:p></span></p> </div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:72.0pt"> <span style="font-size:10.5pt;font-family:"Lucida Grande",sans-serif;color:black">remark #11074: Inlining inhibited by limit max-size </span><span style="font-size:11.0pt"><o:p></o:p></span></p> </div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:72.0pt"> <span style="font-size:10.5pt;font-family:"Lucida Grande",sans-serif;color:black">remark #11076: To get full report use -qopt-report=4 -qopt-report-phase ipo</span><span style="font-size:11.0pt"><o:p></o:p></span></p> </div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:72.0pt"> <span style="font-size:10.5pt;font-family:"Lucida Grande",sans-serif;color:black">make[3]: *** [/home/jibiaoli/codes/cp2k-2023.1/Makefile:522: dbm_matrix.o] Error 2</span><span style="font-size:11.0pt"><o:p></o:p></span></p> </div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:72.0pt"> <span style="font-size:10.5pt;font-family:"Lucida Grande",sans-serif;color:black">make[3]: *** Waiting for unfinished jobs....</span><span style="font-size:11.0pt"><o:p></o:p></span></p> </div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:72.0pt"> <span style="font-size:10.5pt;font-family:"Lucida Grande",sans-serif;color:black">/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</span><span lang="EN-GB" style="font-size:10.5pt;font-family:"MS Gothic";color:black">年</span><span style="font-size:10.5pt;font-family:"Lucida Grande",sans-serif;color:black"> 06</span><span lang="EN-GB" style="font-size:10.5pt;font-family:"MS Gothic";color:black">月</span><span style="font-size:10.5pt;font-family:"Lucida Grande",sans-serif;color:black"> 24</span><span lang="EN-GB" style="font-size:10.5pt;font-family:"MS Gothic";color:black">日</span><span lang="EN-GB" style="font-size:10.5pt;font-family:"Lucida Grande",sans-serif;color:black"> </span><span lang="EN-GB" style="font-size:10.5pt;font-family:"MS Gothic";color:black">星期六</span><span style="font-size:10.5pt;font-family:"Lucida Grande",sans-serif;color:black"> 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 </span><span style="font-size:11.0pt"><o:p></o:p></span></p> </div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:72.0pt"> <span style="font-size:10.5pt;font-family:"Lucida Grande",sans-serif;color:black">/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'.</span><span style="font-size:11.0pt"><o:p></o:p></span></p> </div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:72.0pt"> <span style="font-size:10.5pt;font-family:"Lucida Grande",sans-serif;color:black"> WRITE (iw, '( /,T2,A,T79,A,2(/,T2,A,T75,I6),3(/,T2,A,T67,E14.8) )') &</span><span style="font-size:11.0pt"><o:p></o:p></span></p> </div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:72.0pt"> <span style="font-size:10.5pt;font-family:"Lucida Grande",sans-serif;color:black">----------------------------------------------------------------^</span><span style="font-size:11.0pt"><o:p></o:p></span></p> </div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:72.0pt"> <span style="font-size:10.5pt;font-family:"Lucida Grande",sans-serif;color:black">/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'.</span><span style="font-size:11.0pt"><o:p></o:p></span></p> </div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:72.0pt"> <span style="font-size:10.5pt;font-family:"Lucida Grande",sans-serif;color:black"> WRITE (iw, '( /,T2,A,T79,A,2(/,T2,A,T75,I6),3(/,T2,A,T67,E14.8) )') &</span><span style="font-size:11.0pt"><o:p></o:p></span></p> </div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:72.0pt"> <span style="font-size:10.5pt;font-family:"Lucida Grande",sans-serif;color:black">----------------------------------------------------------------^</span><span style="font-size:11.0pt"><o:p></o:p></span></p> </div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:72.0pt"> <span style="font-size:10.5pt;font-family:"Lucida Grande",sans-serif;color:black">remark #11074: Inlining inhibited by limit max-size </span><span style="font-size:11.0pt"><o:p></o:p></span></p> </div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:72.0pt"> <span style="font-size:10.5pt;font-family:"Lucida Grande",sans-serif;color:black">remark #11076: To get full report use -qopt-report=4 -qopt-report-phase ipo</span><span style="font-size:11.0pt"><o:p></o:p></span></p> </div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:72.0pt"> <span style="font-size:10.5pt;font-family:"Lucida Grande",sans-serif;color:black">remark #11074: Inlining inhibited by limit max-size </span><span style="font-size:11.0pt"><o:p></o:p></span></p> </div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:72.0pt"> <span style="font-size:10.5pt;font-family:"Lucida Grande",sans-serif;color:black">remark #11076: To get full report use -qopt-report=4 -qopt-report-phase ipo</span><span style="font-size:11.0pt"><o:p></o:p></span></p> </div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:72.0pt"> <span style="font-size:10.5pt;font-family:"Lucida Grande",sans-serif;color:black">remark #11074: Inlining inhibited by limit max-size </span><span style="font-size:11.0pt"><o:p></o:p></span></p> </div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:72.0pt"> <span style="font-size:10.5pt;font-family:"Lucida Grande",sans-serif;color:black">remark #11076: To get full report use -qopt-report=4 -qopt-report-phase ipo</span><span style="font-size:11.0pt"><o:p></o:p></span></p> </div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:72.0pt"> <span style="font-size:10.5pt;font-family:"Lucida Grande",sans-serif;color:black">remark #11074: Inlining inhibited by limit max-size </span><span style="font-size:11.0pt"><o:p></o:p></span></p> </div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:72.0pt"> <span style="font-size:10.5pt;font-family:"Lucida Grande",sans-serif;color:black">remark #11074: Inlining inhibited by limit max-total-size </span><span style="font-size:11.0pt"><o:p></o:p></span></p> </div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:72.0pt"> <span style="font-size:10.5pt;font-family:"Lucida Grande",sans-serif;color:black">remark #11076: To get full report use -qopt-report=4 -qopt-report-phase ipo</span><span style="font-size:11.0pt"><o:p></o:p></span></p> </div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:72.0pt"> <span style="font-size:10.5pt;font-family:"Lucida Grande",sans-serif;color:black">/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</span><span lang="EN-GB" style="font-size:10.5pt;font-family:"MS Gothic";color:black">年</span><span style="font-size:10.5pt;font-family:"Lucida Grande",sans-serif;color:black"> 06</span><span lang="EN-GB" style="font-size:10.5pt;font-family:"MS Gothic";color:black">月</span><span style="font-size:10.5pt;font-family:"Lucida Grande",sans-serif;color:black"> 24</span><span lang="EN-GB" style="font-size:10.5pt;font-family:"MS Gothic";color:black">日</span><span lang="EN-GB" style="font-size:10.5pt;font-family:"Lucida Grande",sans-serif;color:black"> </span><span lang="EN-GB" style="font-size:10.5pt;font-family:"MS Gothic";color:black">星期六</span><span style="font-size:10.5pt;font-family:"Lucida Grande",sans-serif;color:black"> 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 </span><span style="font-size:11.0pt"><o:p></o:p></span></p> </div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:72.0pt"> <span style="font-size:10.5pt;font-family:"Lucida Grande",sans-serif;color:black">remark #11074: Inlining inhibited by limit max-size </span><span style="font-size:11.0pt"><o:p></o:p></span></p> </div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:72.0pt"> <span style="font-size:10.5pt;font-family:"Lucida Grande",sans-serif;color:black">remark #11076: To get full report use -qopt-report=4 -qopt-report-phase ipo</span><span style="font-size:11.0pt"><o:p></o:p></span></p> </div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:72.0pt"> <span style="font-size:10.5pt;font-family:"Lucida Grande",sans-serif;color:black">remark #11074: Inlining inhibited by limit max-size </span><span style="font-size:11.0pt"><o:p></o:p></span></p> </div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:72.0pt"> <span style="font-size:10.5pt;font-family:"Lucida Grande",sans-serif;color:black">remark #11074: Inlining inhibited by limit max-total-size </span><span style="font-size:11.0pt"><o:p></o:p></span></p> </div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:72.0pt"> <span style="font-size:10.5pt;font-family:"Lucida Grande",sans-serif;color:black">remark #11076: To get full report use -qopt-report=4 -qopt-report-phase ipo</span><span style="font-size:11.0pt"><o:p></o:p></span></p> </div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:72.0pt"> <span style="font-size:10.5pt;font-family:"Lucida Grande",sans-serif;color:black">remark #11074: Inlining inhibited by limit max-size </span><span style="font-size:11.0pt"><o:p></o:p></span></p> </div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:72.0pt"> <span style="font-size:10.5pt;font-family:"Lucida Grande",sans-serif;color:black">remark #11076: To get full report use -qopt-report=4 -qopt-report-phase ipo</span><span style="font-size:11.0pt"><o:p></o:p></span></p> </div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:72.0pt"> <span style="font-size:10.5pt;font-family:"Lucida Grande",sans-serif;color:black">remark #11074: Inlining inhibited by limit max-size </span><span style="font-size:11.0pt"><o:p></o:p></span></p> </div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:72.0pt"> <span style="font-size:10.5pt;font-family:"Lucida Grande",sans-serif;color:black">remark #11076: To get full report use -qopt-report=4 -qopt-report-phase ipo</span><span style="font-size:11.0pt"><o:p></o:p></span></p> </div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:72.0pt"> <span style="font-size:10.5pt;font-family:"Lucida Grande",sans-serif;color:black">remark #11074: Inlining inhibited by limit max-size </span><span style="font-size:11.0pt"><o:p></o:p></span></p> </div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:72.0pt"> <span style="font-size:10.5pt;font-family:"Lucida Grande",sans-serif;color:black">remark #11076: To get full report use -qopt-report=4 -qopt-report-phase ipo</span><span style="font-size:11.0pt"><o:p></o:p></span></p> </div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:72.0pt"> <span style="font-size:10.5pt;font-family:"Lucida Grande",sans-serif;color:black">remark #11074: Inlining inhibited by limit max-size </span><span style="font-size:11.0pt"><o:p></o:p></span></p> </div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:72.0pt"> <span style="font-size:10.5pt;font-family:"Lucida Grande",sans-serif;color:black">remark #11076: To get full report use -qopt-report=4 -qopt-report-phase ipo</span><span style="font-size:11.0pt"><o:p></o:p></span></p> </div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:72.0pt"> <span style="font-size:10.5pt;font-family:"Lucida Grande",sans-serif;color:black">make[2]: *** [/home/jibiaoli/codes/cp2k-2023.1/Makefile:146: all] Error 2</span><span style="font-size:11.0pt"><o:p></o:p></span></p> </div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:72.0pt"> <span style="font-size:10.5pt;font-family:"Lucida Grande",sans-serif;color:black">make[1]: *** [/home/jibiaoli/codes/cp2k-2023.1/Makefile:128: psmp] Error 2</span><span style="font-size:11.0pt"><o:p></o:p></span></p> </div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:72.0pt"> <span style="font-size:10.5pt;font-family:"Lucida Grande",sans-serif;color:black">make: *** [Makefile:123: all] Error 2</span><span style="font-size:11.0pt"><o:p></o:p></span></p> </div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:72.0pt"> <span style="font-size:10.5pt;font-family:"Lucida Grande",sans-serif;color:black"> </span><span style="font-size:11.0pt"><o:p></o:p></span></p> </div> </div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:72.0pt"> <span style="font-size:13.5pt">local.psmp file:</span><span style="font-size:11.0pt"><o:p></o:p></span></p> </div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:72.0pt"> <span style="font-size:11.0pt"> <o:p></o:p></span></p> </div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:72.0pt"> <span style="font-size:11.0pt">CC = /home/jibiaoli/codes/openmpi-4.1.5/bin/mpicc<o:p></o:p></span></p> </div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:72.0pt"> <span style="font-size:11.0pt">CXX = /home/jibiaoli/codes/openmpi-4.1.5/bin/mpic++<o:p></o:p></span></p> </div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:72.0pt"> <span style="font-size:11.0pt">AR = ar -r<o:p></o:p></span></p> </div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:72.0pt"> <span style="font-size:11.0pt">FC = /home/jibiaoli/codes/openmpi-4.1.5/bin/mpif90<o:p></o:p></span></p> </div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:72.0pt"> <span style="font-size:11.0pt">LD = /home/jibiaoli/codes/openmpi-4.1.5/bin/mpif90<o:p></o:p></span></p> </div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:72.0pt"> <span style="font-size:11.0pt">#<o:p></o:p></span></p> </div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:72.0pt"> <span style="font-size:11.0pt">DFLAGS = -D__parallel -D__MKL -D__FFTW3 -D__LIBXC -D__LIBVDWXC -D__SPGLIB -D__SIRIUS <o:p></o:p></span></p> </div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:72.0pt"> <span style="font-size:11.0pt">#<o:p></o:p></span></p> </div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:72.0pt"> <span style="font-size:11.0pt">WFLAGS = <o:p></o:p></span></p> </div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:72.0pt"> <span style="font-size:11.0pt">#<o:p></o:p></span></p> </div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:72.0pt"> <span style="font-size:11.0pt">FCDEBFLAGS =<o:p></o:p></span></p> </div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:72.0pt"> <span style="font-size:11.0pt"> <o:p></o:p></span></p> </div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:72.0pt"> <span style="font-size:11.0pt">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<o:p></o:p></span></p> </div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:72.0pt"> <span style="font-size:11.0pt">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<o:p></o:p></span></p> </div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:72.0pt"> <span style="font-size:11.0pt">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 <o:p></o:p></span></p> </div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:72.0pt"> <span style="font-size:11.0pt">-Wextra -Werror -Wno-deprecated-declarations $(DFLAGS)<o:p></o:p></span></p> </div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:72.0pt"> <span style="font-size:11.0pt"> <o:p></o:p></span></p> </div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:72.0pt"> <span style="font-size:11.0pt">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<o:p></o:p></span></p> </div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:72.0pt"> <span style="font-size:11.0pt">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<o:p></o:p></span></p> </div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:72.0pt"> <span style="font-size:11.0pt">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 $(FCDEBFLAGS) <o:p></o:p></span></p> </div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:72.0pt"> <span style="font-size:11.0pt">$(WFLAGS) $(DFLAGS) <o:p></o:p></span></p> </div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:72.0pt"> <span style="font-size:11.0pt"> <o:p></o:p></span></p> </div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:72.0pt"> <span style="font-size:11.0pt">CXXFLAGS = -O2 -fPIC -fno-omit-frame-pointer -fopenmp -g -march=native -mtune=native --std=c++14 $(DFLAGS) -Wno-deprecated-declarations<o:p></o:p></span></p> </div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:72.0pt"> <span style="font-size:11.0pt">#<o:p></o:p></span></p> </div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:72.0pt"> <span style="font-size:11.0pt">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<o:p></o:p></span></p> </div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:72.0pt"> <span style="font-size:11.0pt">/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'<o:p></o:p></span></p> </div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:72.0pt"> <span style="font-size:11.0pt"> -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<o:p></o:p></span></p> </div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:72.0pt"> <span style="font-size:11.0pt">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<o:p></o:p></span></p> </div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:72.0pt"> <span style="font-size:11.0pt">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'<o:p></o:p></span></p> </div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:72.0pt"> <span style="font-size:11.0pt"> <o:p></o:p></span></p> </div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:72.0pt"> <span style="font-size:11.0pt">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<o:p></o:p></span></p> </div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:72.0pt"> <span style="font-size:11.0pt">/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++<o:p></o:p></span></p> </div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:72.0pt"> <span style="font-size:11.0pt"> <o:p></o:p></span></p> </div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:72.0pt"> <span style="font-size:11.0pt">Your help is highly required!<o:p></o:p></span></p> </div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:72.0pt"> <span style="font-size:11.0pt"> <o:p></o:p></span></p> </div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:72.0pt"> <span style="font-size:11.0pt">Best Regards<o:p></o:p></span></p> </div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:72.0pt"> <span style="font-size:11.0pt;color:#888888"> </span><span style="font-size:11.0pt"><o:p></o:p></span></p> </div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:72.0pt"> <span style="font-size:11.0pt;color:#888888">Jibiao Li</span><span style="font-size:11.0pt"><o:p></o:p></span></p> </div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:72.0pt"> <span style="font-size:11.0pt;color:#888888"> </span><span style="font-size:11.0pt"><o:p></o:p></span></p> </div> </div> </div> </div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:72.0pt"> <span style="font-size:11.0pt">-- <br> You received this message because you are subscribed to the Google Groups "cp2k" group.<br> To unsubscribe from this group and stop receiving emails from it, send an email to <a href="mailto:cp2k+unsubscribe@googlegroups.com" target="_blank">cp2k+unsubscribe@googlegroups.com</a>.<br> To view this discussion on the web visit <a href="https://groups.google.com/d/msgid/cp2k/CAAk9cEibgExCzRV4f_HtKsya0XP3hO8RyDTDFwa2K4xH0y1K_Q%40mail.gmail.com?utm_medium=email&utm_source=footer" target="_blank"> https://groups.google.com/d/msgid/cp2k/CAAk9cEibgExCzRV4f_HtKsya0XP3hO8RyDTDFwa2K4xH0y1K_Q%40mail.gmail.com</a>.<o:p></o:p></span></p> </div> </div> </div> </div> <p class="MsoNormal" style="margin-left:36.0pt"><span style="font-size:11.0pt">-- <br> You received this message because you are subscribed to the Google Groups "cp2k" group.<br> To unsubscribe from this group and stop receiving emails from it, send an email to <a href="mailto:cp2k+unsubscribe@googlegroups.com" target="_blank">cp2k+unsubscribe@googlegroups.com</a>.<br> To view this discussion on the web visit <a 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