[gmx-users] Perplexed about MPI

dr.horsfield at physics.org dr.horsfield at physics.org
Tue Oct 29 18:00:27 CET 2002


I have begun to despair of MPI! I have LAM-MPI 6.5.7 installed. It passes
the test suite perfectly, and the Pallas MPI benchmarks run fine. I have
gromacs 3.1.4 installed, and I have compiled it for MPI. A particular
small job runs fine on 2 processors (either on the same box, or on two 
boxes), but falls over immediately on 3 or 4, with the error:

MPI process rank 0 (n0, p3603) caught a SIGSEGV.

One of the processes started by mpirun has exited with a nonzero exit
code.  This typically indicates that the process finished in error.
If your process did not finish in error, be sure to include a "return
0" or "exit(0)" in your C code before exiting the application.

PID 3603 failed on node n0 with exit status 1.

Could the problem be that the number of atoms on each node is not the same 
for 3 or 4 processors? Any suggestions?



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