[gmx-developers] Segfault during EM in recent git version
hess at cbr.su.se
Mon Oct 5 17:40:38 CEST 2009
Jochen Hub wrote:
> Yes, I have finite cut-offs:
> coulombtype = Cut-off
> rcoulomb-switch = 0
> rcoulomb = 1
> vdw-type = Cut-off
> ; cut-off lengths rvdw-switch = 0
> rvdw = 1
> pbc = xyz
> I just tried with PME and vdw-type = Shift and Switch, same result.
> With vdw Switch I also get Segfault (but this time after a few lincs
> warnigs) with the 405 from a few weeks ago, so I somehow feel that
> this is the same problem. Running in gdb yields a segfault
> immediately, with asimilar error in the nb-kernel:
> Program received signal EXC_BAD_INSTRUCTION, Illegal instruction/operand.
> 0x005cc6d5 in nb_kernel_ia32_3dnow_test_asm ()
Could you file a bugzilla?
Please include all input files to grompp and also add the log file for
the problematic run.
Is this a completely standard serial (non-parallel) simulation?
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