Hi everyone, I try to compile GROMACS 5.0.5 on Fujitsu PRIMEHPC FX-10 with the command from installation instruction page http://www.gromacs.org/Documentation/Installation_Instructions_5.0#linear-algebra-libraries I use the Fujitsu compiler with the custom build toolchain as suggestion from the GROMACS webpage. The command is: >> ~/software/cmake/bin/cmake ../ -DCMAKE_INSTALL_PREFIX=/home/k0055/k005503/software/gromacs -DGMX_MPI=ON -DCMAKE_TOOLCHAIN_FILE=../cmake/Platform/Toolchain-Fujitsu-Sparc64-mpi.cmake -DCMAKE_PREFIX_PATH=/usr/local/fftw/3.3 -DGMX_BUILD_MDRUN_ONLY=ON -DGMX_RELAXED_DOUBLE_PRECISION=ON
But unfortunately, I got this message after running make. ../../lib/libgromacs_mdrun_mpi_d.a(tpi.c.o): In function `do_tpi': tpi.c:(.text+0x2130): undefined reference to `gmx_simd_check_and_reset_overflow' make[2]: *** [bin/mdrun_mpi_d] Error 1 make[1]: *** [src/programs/CMakeFiles/mdrun.dir/all] Error 2 make: *** [all] Error 2 Is there any suggestion on this problem? Thank you a lot. -- 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.