Hi, When you ran cmake originally, what did it report about which LAPACK it found and will use? (You may need to clean your build tree and start again in order to find this out.) What is the linker command line now (e.g. make VERBOSE=1)
Mark On Mon, Apr 13, 2015 at 11:30 PM, qian wang <qq.wang...@gmail.com> wrote: > Dear All, > > I am a new user of gromacs 5.0. For my own purposes I made small changes in > a gromacs source code where I called a function named "DPOTRF". This is a > standard function in LAPACK library but not in the gromacs internal LAPACK > library. > > Now I have a problem of compiling. What I did is: > > cmake .. -DGMX_EXTERNAL_BLAS=on -DGMX_EXTERNAL_LAPACK=on > -DCMAKE_PREFIX_PATH=/usr/lib64 (this is the path of my extenal LAPACK > library) > this step is ok > but next when I "make", the error I got is: > > Linking CXX executable ../../bin/template > ../../lib/libgromacs.so.0.0.0: undefined reference to `dpotrf' > collect2: error: ld returned 1 exit status > make[2]: *** [bin/template] Error 1 > make[1]: *** [share/template/CMakeFiles/template.dir/all] Error 2 > > Could anyone help me with this problem? Thanks a lot. > > Sincerely, > Qian > -- > Gromacs Users mailing list > > * Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before > posting! > > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > > * For (un)subscribe requests visit > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or > send a mail to gmx-users-requ...@gromacs.org. > -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
