On Sat, Apr 6, 2013 at 7:17 AM, Shine A <[email protected]> wrote:
> Respected Sir, > > Now I am trying an REMD simulation on a peptide in > cluster. The command line I used as follows > > mpirun -np 6 /usr/local/gromacs/bin/mdrun_mpi -s sd_.tpr -multi 2 > -replex 1000 -reseed 175320 > > But this command line getting error like this > > Wrote pdb files with previous and current coordinates > [lilavati:27635] *** Process received signal *** > [lilavati:27635] Signal: Segmentation fault (11) > [lilavati:27635] Signal code: Address not mapped (1) > [lilavati:27635] Failing at address: 0x2aaab438b8a8 > [lilavati:27635] [ 0] /lib64/libpthread.so.0 [0x357c00e4c0] > [lilavati:27635] [ 1] > /usr/local/gromacs/lib/libmd_mpi_d.so.6(gb_bonds_tab+0x246) > [0x2b8f12dc1eb6] > [lilavati:27635] [ 2] > /usr/local/gromacs/lib/libmd_mpi_d.so.6(calc_gb_forces+0x110) > [0x2b8f12dc18f0] > [lilavati:27635] [ 3] > /usr/local/gromacs/lib/libmd_mpi_d.so.6(do_force_lowlevel+0x5b5) > [0x2b8f12d92ab5] > [lilavati:27635] [ 4] > /usr/local/gromacs/lib/libmd_mpi_d.so.6(do_force+0xd82) [0x2b8f12df2622] > [lilavati:27635] [ 5] /usr/local/gromacs/bin/mdrun_mpi(do_md+0x5913) > [0x41cbb3] > [lilavati:27635] [ 6] /usr/local/gromacs/bin/mdrun_mpi(mdrunner+0x12ae) > [0x41704e] > [lilavati:27635] [ 7] /usr/local/gromacs/bin/mdrun_mpi(main+0xb4d) > [0x41da8d] > [lilavati:27635] [ 8] /lib64/libc.so.6(__libc_start_main+0xf4) > [0x357b41d974] > [lilavati:27635] [ 9] /usr/local/gromacs/bin/mdrun_mpi(do_cg+0x191) > [0x407d79] > [lilavati:27635] *** End of error message *** > -------------------------------------------------------------------------- > mpirun noticed that process rank 0 with PID 27635 on node lilavati exited > on signal 11 (Segmentation fault). > -------------------------------------------------------------------------- > > > Why this error coming here?Can you give a solution for this? Thanks in > advance > http://www.gromacs.org/Documentation/Terminology/Blowing_Up -Justin -- ======================================== Justin A. Lemkul, Ph.D. Research Scientist Department of Biochemistry Virginia Tech Blacksburg, VA jalemkul[at]vt.edu | (540) 231-9080http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin ======================================== -- gmx-users mailing list [email protected] http://lists.gromacs.org/mailman/listinfo/gmx-users * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! * Please don't post (un)subscribe requests to the list. Use the www interface or send it to [email protected]. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
