Dear all, I'm trying to run Gromacs on a Fujitsu supercomputer but the software is crashing.
I run grompp: grompp_mpi_d -f parameters.mdp -c system.pdb -p overthe.top and it produces the error: jwe1050i-w The hardware barrier couldn't be used and continues processing using the software barrier. taken to (standard) corrective action, execution continuing. error summary (Fortran) error number error level error count jwe1050i w 1 total error count = 1 but still outputs topol.tpr so I can continue. I then run with export FLIB_FASTOMP=FALSE source /home/username/Gromacs463/bin/GMXRC.bash mpiexec mdrun_mpi_d -ntomp 16 -v but it crashes: starting mdrun 'testrun' 50000 steps, 100.0 ps. jwe0019i-u The program was terminated abnormally with signal number SIGSEGV. signal identifier = SEGV_MAPERR, address not mapped to object error occurs at calc_cell_indices._OMP_1 loc 0000000000233474 offset 00000000000003b4 calc_cell_indices._OMP_1 at loc 00000000002330c0 called from loc ffffffff02088fa0 in start_thread start_thread at loc ffffffff02088e4c called from loc ffffffff029d19b4 in __thread_start __thread_start at loc ffffffff029d1988 called from o.s. error summary (Fortran) error number error level error count jwe0019i u 1 jwe1050i w 1 total error count = 2 [ERR.] PLE 0014 plexec The process terminated abnormally.(rank=1)(nid=0x03060006)(exitstatus=240)(CODE=2002,1966080,61440) [ERR.] PLE The program that the user specified may be illegal or inaccessible on the node.(nid=0x03060006) Any ideas what could be wrong? It works on my local intel machine. Thanks in advance, James -- gmx-users mailing list gmx-users@gromacs.org 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 gmx-users-requ...@gromacs.org. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists