Hi users, A simulation of mine ran fine for 3955000 steps and then failed with a Bus error shown below. I compiled gromacs 4.5.5 with gcc 4.5.3, fftw 3.2.2, and linked to openmpi 1.4.5. Anyone recognize this?
[q6:22593] *** Process received signal *** [q6:22593] Signal: Bus error (7) [q6:22593] Signal code: (2) [q6:22593] Failing at address: 0x2b8d50c71b20 [q6:22597] *** Process received signal *** [q6:22597] Signal: Bus error (7) [q6:22597] Signal code: (2) [q6:22597] Failing at address: 0x2aedade56b20 [q6:22595] *** Process received signal *** [q6:22595] Signal: Bus error (7) [q6:22595] Signal code: (2) [q6:22595] Failing at address: 0x2abd765a5b20 [q6:22594] *** Process received signal *** [q6:22594] Signal: Bus error (7) [q6:22594] Signal code: (2) [q6:22594] Failing at address: 0x2adc173a2b20 [q6:22596] *** Process received signal *** [q6:22596] Signal: Bus error (7) [q6:22596] Signal code: (2) [q6:22596] Failing at address: 0x2b839de73b20 runcommands: line 1: 22573 Bus error (core dumped) mpirun mdrun_mpi -deffnm run -c run.pdb -cpi -cpo -maxh 24 -npme 32 ----------------------------------------------- Erik Marklund, PhD Dept. of Cell and Molecular Biology, Uppsala University. Husargatan 3, Box 596, 75124 Uppsala, Sweden phone: +46 18 471 6688 fax: +46 18 511 755 [email protected] http://www2.icm.uu.se/molbio/elflab/index.html -- 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

