<table style="width: 99.8%; "><tbody><tr><td id="QQMAILSTATIONERY" style="background:url(https://rescdn.qqmail.com/zh_CN/htmledition/images/xinzhi/bg/b_01.jpg); min-height:550px; padding:100px 55px 200px; "><div>Hi everyone,</div><div><br></div><div>I am currently trying to run two Gromacs 2018 parallel processes by using</div><div><br></div><div>mpirun -np 2 ...(some path)/mdrun_mpi -v -multidir sim[01]</div><div><br></div><div>During the simulation, I need to collect some information to the two master nodes, just like the function "dd_gather". Therefore, I need to reach (cr-&gt;dd) for each rank. However, whenever I want to print "cr-&gt;dd-&gt;rank" or "cr-&gt;dd-&gt;nnodes"or some thing like that, it just shows</div><div><br></div><div><div>[c15:31936] *** Process received signal ***</div><div>[c15:31936] Signal: Segmentation fault (11)</div><div>[c15:31936] Signal code: Address not mapped (1)</div><div>[c15:31936] Failing at address: 0x30</div><div>[c15:31936] [ 0] /lib/x86_64-linux-gnu/libpthread.so.0(+0x10340) [0x7f7f9e374340]</div><div>[c15:31936] [ 1] /home/hudan/wow/ngromacs-2018/gromacs-2018/build/bin/mdrun_mpi() [0x468cfb]</div><div>[c15:31936] [ 2] /home/hudan/wow/ngromacs-2018/gromacs-2018/build/bin/mdrun_mpi() [0x40dd65]</div><div>[c15:31936] [ 3] /home/hudan/wow/ngromacs-2018/gromacs-2018/build/bin/mdrun_mpi() [0x42ca93]</div><div>[c15:31936] [ 4] /home/hudan/wow/ngromacs-2018/gromacs-2018/build/bin/mdrun_mpi() [0x416f7d]</div><div>[c15:31936] [ 5] /home/hudan/wow/ngromacs-2018/gromacs-2018/build/bin/mdrun_mpi() [0x41792c]</div><div>[c15:31936] [ 6] /home/hudan/wow/ngromacs-2018/gromacs-2018/build/bin/mdrun_mpi() [0x438756]</div><div>[c15:31936] [ 7] /home/hudan/wow/ngromacs-2018/gromacs-2018/build/bin/mdrun_mpi() [0x438b3e]</div><div>[c15:31936] [ 8] /home/hudan/wow/ngromacs-2018/gromacs-2018/build/bin/mdrun_mpi() [0x439a97]</div><div>[c15:31936] [ 9] /lib/x86_64-linux-gnu/libc.so.6(__libc_start_main+0xf5) [0x7f7f9d591ec5]</div><div>[c15:31936] [10] /home/hudan/wow/ngromacs-2018/gromacs-2018/build/bin/mdrun_mpi() [0x40b93e]</div><div>[c15:31936] *** End of error message ***</div><div>step 0[c15:31935] *** Process received signal ***</div><div>[c15:31935] Signal: Segmentation fault (11)</div><div>[c15:31935] Signal code: Address not mapped (1)</div><div>[c15:31935] Failing at address: 0x30</div><div>[c15:31935] [ 0] /lib/x86_64-linux-gnu/libpthread.so.0(+0x10340) [0x7fb64892e340]</div><div>[c15:31935] [ 1] /home/hudan/wow/ngromacs-2018/gromacs-2018/build/bin/mdrun_mpi() [0x468cfb]</div><div>[c15:31935] [ 2] /home/hudan/wow/ngromacs-2018/gromacs-2018/build/bin/mdrun_mpi() [0x40dd65]</div><div>[c15:31935] [ 3] /home/hudan/wow/ngromacs-2018/gromacs-2018/build/bin/mdrun_mpi() [0x42ca93]</div><div>[c15:31935] [ 4] /home/hudan/wow/ngromacs-2018/gromacs-2018/build/bin/mdrun_mpi() [0x416f7d]</div><div>[c15:31935] [ 5] /home/hudan/wow/ngromacs-2018/gromacs-2018/build/bin/mdrun_mpi() [0x41792c]</div><div>[c15:31935] [ 6] /home/hudan/wow/ngromacs-2018/gromacs-2018/build/bin/mdrun_mpi() [0x438756]</div><div>[c15:31935] [ 7] /home/hudan/wow/ngromacs-2018/gromacs-2018/build/bin/mdrun_mpi() [0x438b3e]</div><div>[c15:31935] [ 8] /home/hudan/wow/ngromacs-2018/gromacs-2018/build/bin/mdrun_mpi() [0x439a97]</div><div>[c15:31935] [ 9] /lib/x86_64-linux-gnu/libc.so.6(__libc_start_main+0xf5) [0x7fb647b4bec5]</div><div>[c15:31935] [10] /home/hudan/wow/ngromacs-2018/gromacs-2018/build/bin/mdrun_mpi() [0x40b93e]</div><div>[c15:31935] *** End of error message ***</div><div>--------------------------------------------------------------------------</div><div>mpirun noticed that process rank 0 with PID 31935 on node c15.dynstar exited on signal 11 (Segmentation fault).</div><div>--------------------------------------------------------------------------</div></div><div><br></div><div>However, if I install the package without flag -DGMX_MPI=on, the single program(mdrun) runs smoothly. and all the domain decomposition rank can be printed out and used conveniently.</div><div><br></div><div>It is pretty wierd to me that, with mdrun_mpi, although domain decomposition can be done, their rank can neither be printed out nor available through struct cr-&gt;dd. I wonder whether they were saved in other form, but I do not know what it is.</div><div><br></div><div>I will appreciate it if someone can help. Thank you very much!!!</div><div>Best,</div><div>Huan</div></td></tr></tbody></table>