It worked! Thanks a lot for your help. 在 2018年11月7日星期三 UTC+8下午11:30:03，Christoph Junghans写道： > > On Wed, Nov 7, 2018 at 8:17 AM <[email protected] <javascript:>> 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] <javascript:>. > > To post to this group, send email to [email protected] > <javascript:>. > > 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 >
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