I am fairly new to lammps. In past, I have been able to complie and run simple test cases in serial/parallel. However, I notice that there seems to be a problem running PRD simulation in conjunction with the “dump” command.
While testing the example of vacancy diffusion in Si, as provided in the folder ~/lammps-14May12/examples/prd/ , I encounter an MPI crash … and a core.* file if I choose a partition like “-partition 4x2”
The only difference between my input and the example, is I try to use the dump command by uncommenting it
dump events all custom 1 dump.prd id type x y z (line 83 of in.prd)
I found the simulation runs fine…printing out the events when I comment out the dump command, or when I set up multiple replicas which each replica using just 1 node. Say, -partition 4x1 or -partition 8x1 … works fine…!!
This makes me speculate if the dump command has some issues with prd run. Typical error messages contain:
… Rank 2, Process 16333 received signal SIGSEGV(11)
MPI_COMM_WORLD rank 2 has terminated without calling MPI_Finalize()
MPI: aborting job
MPI: Received signal 11
Has anyone else encountered similar issues? It would be great if someone could clarify what is going wrong and advise me on how it can be addressed.
Thanks in advance for your time,
P.S: I have tested these runs on machines with (1) SUSE Linux, Sgi MPT 1.25, Intel 11.1.xx compilers; (2) ubuntu machine with MPICH2 ver 1.4 and gfortran/gcc version 4.6. In both cases the simulation crashes. The above error messages were observed on the SUSE machine.
Both machines have yielded me stable executables which I have used in the past for other tests.