On Wed, Nov 7, 2018 at 8:17 AM <[email protected]> wrote: > > Hi Jens, thanks for your reply. I attached the cmake log files which I think > might be useful. And as you said, I only use CSG now. The cmake command I > used was: > > cmake -DBUILD_CSGAPPS=ON --DCMAKE_INSTALL_PREFIX=~/votca > -DEIGEN3_INCLUDE_DIR=~/local/include/eigen3 -DBOOST_ROOT=~/local > -DWITH_GMX=OFF .. > > So if it is the MKL problem, how to disable it? You can add -DCMAKE_DISABLE_FIND_PACKAGE_MKL=ON as an option.
> > Meng > > 在 2018年11月7日星期三 UTC+8下午10:39:29，Jens Wehner写道： >> >> Heyho Meng, >> >> can you show the whole cmake log? >> >> My guess is that the linking to the MKL library sort of failed. If you are >> only interested in CSG, you do not need to use MKL at all, as the speed gain >> is minimal. >> >> Cheers Jens >> >> Am Mittwoch, 7. November 2018 15:29:18 UTC+1 schrieb [email protected]: >>> >>> Hi, >>> >>> I'm trying to install VOTCA in the cluster of supercomputing center. I >>> believe that all the needed >>> dependencies have been installed, so the cmake process was successful. >>> >>> However, later I failed to pass through the make process, there comes the >>> below error messages. I also >>> tried to install the LAPACK, but it didn't help. So ... can anybody tell me >>> what the problem is? >>> >>> [ 4%] Building CXX object >>> tools/src/libtools/CMakeFiles/votca_tools.dir/linalg.cc.o >>> /home-gs/users/nsgs066_LLJ/software/votca/tools/src/libtools/linalg.cc: In >>> function 'bool votca::tools::linalg_eigenvalues(Eigen::MatrixXd&, >>> Eigen::VectorXd&, Eigen::MatrixXd&, int)': >>> /home-gs/users/nsgs066_LLJ/software/votca/tools/src/libtools/linalg.cc:94:28: >>> error: 'LAPACK_COL_MAJOR' was not declared in this scope >>> info = LAPACKE_dsyevx( LAPACK_COL_MAJOR, 'V', 'I', 'U', n, pA , lda, >>> vl, vu, il, iu, abstol, &m, pE, pV, n, ifail ); >>> ^~~~~~~~~~~~~~~~ >>> /home-gs/users/nsgs066_LLJ/software/votca/tools/src/libtools/linalg.cc:94:12: >>> error: 'LAPACKE_dsyevx' was not declared in this scope >>> info = LAPACKE_dsyevx( LAPACK_COL_MAJOR, 'V', 'I', 'U', n, pA , lda, >>> vl, vu, il, iu, abstol, &m, pE, pV, n, ifail ); >>> ^~~~~~~~~~~~~~ >>> /home-gs/users/nsgs066_LLJ/software/votca/tools/src/libtools/linalg.cc: In >>> function 'bool votca::tools::linalg_eigenvalues(Eigen::MatrixXf&, >>> Eigen::VectorXf&, Eigen::MatrixXf&, int)': >>> /home-gs/users/nsgs066_LLJ/software/votca/tools/src/libtools/linalg.cc:142:28: >>> error: 'LAPACK_COL_MAJOR' was not declared in this scope >>> info = LAPACKE_ssyevx( LAPACK_COL_MAJOR, 'V', 'I', 'U', n, pA , lda, >>> vl, vu, il, iu, abstol, &m, pE, pV, n, ifail ); >>> ^~~~~~~~~~~~~~~~ >>> /home-gs/users/nsgs066_LLJ/software/votca/tools/src/libtools/linalg.cc:142:12: >>> error: 'LAPACKE_ssyevx' was not declared in this scope >>> info = LAPACKE_ssyevx( LAPACK_COL_MAJOR, 'V', 'I', 'U', n, pA , lda, >>> vl, vu, il, iu, abstol, &m, pE, pV, n, ifail ); >>> ^~~~~~~~~~~~~~ >>> make[2]: *** [tools/src/libtools/CMakeFiles/votca_tools.dir/linalg.cc.o] >>> Error 1 >>> make[1]: *** [tools/src/libtools/CMakeFiles/votca_tools.dir/all] Error 2 >>> make: *** [all] Error 2 >>> >>> >>> Sincerely, >>> Meng > > -- > You received this message because you are subscribed to the Google Groups > "votca" group. > To unsubscribe from this group and stop receiving emails from it, send an > email to [email protected]. > To post to this group, send email to [email protected]. > Visit this group at https://groups.google.com/group/votca. > For more options, visit https://groups.google.com/d/optout. -- Christoph Junghans Web: http://www.compphys.de -- You received this message because you are subscribed to the Google Groups "votca" group. To unsubscribe from this group and stop receiving emails from it, send an email to [email protected]. To post to this group, send email to [email protected]. Visit this group at https://groups.google.com/group/votca. For more options, visit https://groups.google.com/d/optout.
