<div dir="ltr">Dear Tiziano<div> </div><div>yes, I forgot to source the setup. However, setting the environment does not seem to be enough for compiling omen.</div><div>The installer gets stuck now with:</div><div><div> </div><div><div>DHAVE_MUMPS -DHAVE_PEXSI -lrt -ldl -lstdc++ -lgfortran -lmpifort -lopenblas</div><div>/CP2K-OMEN-GCC/cp2k/cp2k/lib/local/popt/libcp2k.a(xc_libxc.o): In function `__xc_libxc_MOD_libxc_lsd_eval':</div><div>/CP2K-OMEN-GCC/cp2k/cp2k/src/xc/xc_libxc.F:631: undefined reference to `__xc_f03_lib_m_MOD_xc_f03_func_init'</div><div>/CP2K-OMEN-GCC/cp2k/cp2k/src/xc/xc_libxc.F:632: undefined reference to `__xc_f03_lib_m_MOD_xc_f03_func_get_info'</div><div>/CP2K-OMEN-GCC/cp2k/cp2k/lib/local/popt/libcp2k.a(xc_libxc.o): In function `libxc_lsd_calc':</div><div>/CP2K-OMEN-GCC/cp2k/cp2k/src/xc/xc_libxc.F:1621: undefined reference to `__xc_f03_lib_m_MOD_xc_f03_func_init'</div><div>/CP2K-OMEN-GCC/cp2k/cp2k/src/xc/xc_libxc.F:1622: undefined reference to `__xc_f03_lib_m_MOD_xc_f03_func_get_info'</div><div>/CP2K-OMEN-GCC/cp2k/cp2k/src/xc/xc_libxc.F:2281: undefined reference to `__xc_f03_lib_m_MOD_xc_f03_func_info_get_family'</div><div>/CP2K-OMEN-GCC/cp2k/cp2k/src/xc/xc_libxc.F:1962: undefined reference to `__xc_f03_lib_m_MOD_xc_f03_mgga_exc'</div><div>/CP2K-OMEN-GCC/cp2k/cp2k/src/xc/xc_libxc.F:1962: undefined reference to `__xc_f03_lib_m_MOD_xc_f03_mgga_exc'</div><div>/CP2K-OMEN-GCC/cp2k/cp2k/src/xc/xc_libxc.F:1759: undefined reference to `__xc_f03_lib_m_MOD_xc_f03_gga_exc'</div><div>/CP2K-OMEN-GCC/cp2k/cp2k/src/xc/xc_libxc.F:1759: undefined reference to `__xc_f03_lib_m_MOD_xc_f03_gga_exc'</div></div><div> </div><div> </div></div><div>Could you please help me again?</div><div> </div><div>Bests</div><div>Luca </div><div> </div><div> </div><div> </div><div> </div><div> On Tuesday, May 21, 2019 at 1:05:50 PM UTC+2, Tiziano Müller wrote:<blockquote class="gmail_quote" style="margin: 0;margin-left: 0.8ex;border-left: 1px #ccc solid;padding-left: 1ex;">Hi Luca, this means that the linker is unable to find the mentioned libraries [1]. Make sure you source the `setup` file from the toolchain (as instructed by the toolchain script): source [...]/cp2k/tools/toolchain/install/setup which adds the library paths to the variable `$LD_LIBRARY_PATH` from where the linker should pick them up. Best regards, Tiziano [1] <a href="https://stackoverflow.com/questions/16710047/usr-bin-ld-cannot-find-lnameofthelibrary" target="_blank" rel="nofollow" onmousedown="this.href='https://www.google.com/url?q\x3dhttps%3A%2F%2Fstackoverflow.com%2Fquestions%2F16710047%2Fusr-bin-ld-cannot-find-lnameofthelibrary\x26sa\x3dD\x26sntz\x3d1\x26usg\x3dAFQjCNHdvNRAZFk1wk9_xsYGhuJIpzsz4A';return true;" onclick="this.href='https://www.google.com/url?q\x3dhttps%3A%2F%2Fstackoverflow.com%2Fquestions%2F16710047%2Fusr-bin-ld-cannot-find-lnameofthelibrary\x26sa\x3dD\x26sntz\x3d1\x26usg\x3dAFQjCNHdvNRAZFk1wk9_xsYGhuJIpzsz4A';return true;">https://stackoverflow.com/questions/16710047/usr-bin-ld-cannot-find-lnameofthelibrary</a> On 21.05.19 11:09, Luca wrote: > Dear Tiziano > > I was able to compile libcp2k, but I was less lucky with omen. > > I get the errors > > /usr/bin/ld: cannot find -lxsmmf > /usr/bin/ld: cannot find -lxsmm > /usr/bin/ld: cannot find -lderiv > /usr/bin/ld: cannot find -lint > /usr/bin/ld: cannot find -lxcf90 > /usr/bin/ld: cannot find -lxc > /usr/bin/ld: cannot find -lfftw3 > /usr/bin/ld: cannot find -lmpifort > /usr/bin/ld: cannot find -lopenblas > > Could you please help me with this? > > Bests > Luca > > > On Monday, May 20, 2019 at 12:48:24 PM UTC+2, Tiziano Müller wrote: > > Hi Luca, > > On 20.05.19 10:21, Luca wrote: > > Dear Tiziano > > > > thank you for your answer. Unfortunately, your hints do not fix the > > issue. The path to the cp2k sources is > .../CP2K-OMEN/cp2k/cp2k/src. > I believe the reason is that the > script package_versions.sh do not exist > > in the dir ../script. > > Furthermore, that script is not even present in the entire cp2k dir. > > Does anyone know the reason for that? Which is the cp2k release I > have > > to use with OMEN? I am using the 6.1 > > in v6.1 the script should still be there: > > <a href="https://github.com/cp2k/cp2k/blob/v6.1.0/tools/toolchain/scripts/package_versions.sh" target="_blank" rel="nofollow" onmousedown="this.href='https://www.google.com/url?q\x3dhttps%3A%2F%2Fgithub.com%2Fcp2k%2Fcp2k%2Fblob%2Fv6.1.0%2Ftools%2Ftoolchain%2Fscripts%2Fpackage_versions.sh\x26sa\x3dD\x26sntz\x3d1\x26usg\x3dAFQjCNGUTi-C-6QBhBvhe88tc8k4iVul3A';return true;" onclick="this.href='https://www.google.com/url?q\x3dhttps%3A%2F%2Fgithub.com%2Fcp2k%2Fcp2k%2Fblob%2Fv6.1.0%2Ftools%2Ftoolchain%2Fscripts%2Fpackage_versions.sh\x26sa\x3dD\x26sntz\x3d1\x26usg\x3dAFQjCNGUTi-C-6QBhBvhe88tc8k4iVul3A';return true;">https://github.com/cp2k/cp2k/blob/v6.1.0/tools/toolchain/scripts/package_versions.sh</a> > <<a href="https://github.com/cp2k/cp2k/blob/v6.1.0/tools/toolchain/scripts/package_versions.sh" target="_blank" rel="nofollow" onmousedown="this.href='https://www.google.com/url?q\x3dhttps%3A%2F%2Fgithub.com%2Fcp2k%2Fcp2k%2Fblob%2Fv6.1.0%2Ftools%2Ftoolchain%2Fscripts%2Fpackage_versions.sh\x26sa\x3dD\x26sntz\x3d1\x26usg\x3dAFQjCNGUTi-C-6QBhBvhe88tc8k4iVul3A';return true;" onclick="this.href='https://www.google.com/url?q\x3dhttps%3A%2F%2Fgithub.com%2Fcp2k%2Fcp2k%2Fblob%2Fv6.1.0%2Ftools%2Ftoolchain%2Fscripts%2Fpackage_versions.sh\x26sa\x3dD\x26sntz\x3d1\x26usg\x3dAFQjCNGUTi-C-6QBhBvhe88tc8k4iVul3A';return true;">https://github.com/cp2k/cp2k/blob/v6.1.0/tools/toolchain/scripts/package_versions.sh</a>> > > > But it seems that the script by default pulls from old SVN trunk which > is already missing the `package_versions.sh`. > > You can proceed by either commenting out the SVN checkout part in > OMEN's > `installer.sh` and make sure it uses the CP2K sources you provide or > change > > cp2kTRUNKorRELEASE="trunk" > cp2kRELEASEVER="4_1" > > to > > cp2kTRUNKorRELEASE="release" > cp2kRELEASEVER="6_1" > > which should make the script pull version 6.1 from the old SVN (both > methods not tested by me). > In any what it seems you need some manual work to make the > `installer.sh` work again. > > Best regards, > Tiziano > > > > > Best Regards. > > Luca > > > > On Monday, May 20, 2019 at 9:22:00 AM UTC+2, Tiziano Müller wrote: > > > > Hi Luca, > > > > the dft-transport code seems to be assuming the old CP2K > directory > > layout from when we were still using Subversion. > > > > It might be enough to correct line 111 in the installer.sh to > > > > cp2k_toolchainDIR=${cp2kDIR}/tools/toolchain > > > > ... and in lines 121, 130, 403 remove the `cp2k/` as well. > > > > Best regards, > > Tiziano > > > > On 19.05.19 21:57, Luca wrote: > > > Dear developers > > > > > > I am trying to install CP2K+OMEN by using the installer.sh > script > > > provided with the dft-transport sources. > > > Unfortunately, the installer does not finish his work > since it > > crashes > > > with the error: > > > > > > > > > -------------------------------------------------------------------------------------------------------- > > > > > > build CP2K you should change directory: > > > cd cp2k/makefiles/ > > > make -j 16 ARCH=local VERSION="sopt sdbg ssmp popt pdbg > psmp" > > > > > > arch files for GPU enabled CUDA versions are named > "local_cuda.*" > > > arch files for valgrind versions are named "local_valgrind.*" > > > arch files for coverage versions are named "local_coverage.*" > > > ./installer.sh: line 141: > > > > > > .../CP2K-OMEN/cp2k/cp2k/tools/toolchain/scripts/package_versions.sh: No > > > such file or directory > > > > > > -------------------------------------------------------------------------------------------------------- > > > > > > > > > Could you please help me to overcome this issue? > > > Best Regards. > > > > > > Luca > > > > > > -- > > > You received this message because you are subscribed to > the Google > > > Groups "cp2k" group. > > > To unsubscribe from this group and stop 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