[gmx-users] Problem with Gromacs 4.6 installation

jesmin jahan shraban03 at gmail.com
Wed Aug 22 18:31:45 CEST 2012


Dear All,

I am trying to install Gromacs 4.6 with -DGMX_OPENMM=ON

I am getting the following errors in make install-mdrun

../mdlib/libmd_openmm.so.6: undefined reference to `omp_get_thread_num'
../mdlib/libmd_openmm.so.6: undefined reference to `omp_get_num_threads'
../mdlib/libmd_openmm.so.6: undefined reference to `GOMP_parallel_start'
../mdlib/libmd_openmm.so.6: undefined reference to `GOMP_loop_end_nowait'
../mdlib/libmd_openmm.so.6: undefined reference to
`GOMP_loop_ordered_static_start'
../mdlib/libmd_openmm.so.6: undefined reference to `GOMP_parallel_end'
../mdlib/libmd_openmm.so.6: undefined reference to `GOMP_barrier'
../mdlib/libmd_openmm.so.6: undefined reference to
`GOMP_loop_ordered_static_next'
collect2: ld returned 1 exit status
make[3]: *** [src/kernel/mdrun-openmm] Error 1
make[2]: *** [src/kernel/CMakeFiles/mdrun.dir/all] Error 2
make[1]: *** [src/kernel/CMakeFiles/install-mdrun.dir/rule] Error 2
make: *** [install-mdrun] Error 2


Is there anyone out there who has faced the same kind of problem and
know the solution?
Any kind of help will be highly appreciated.

Thanks,
Jesmin

-- 
Jesmin Jahan Tithi
PhD Student, CS
Stony Brook University, NY-11790.



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