[gmx-users] problem with REMD

[Shine A]

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