[gmx-users] Gromacs-5.1 XLC Seg. Fault.

[Johnny Lu]

what is the computer you are using?
i tried to build gromacs 4.6.7 on IBM System p7 755.
It was very tedious. I had to build cmake. I think I even tried to build
gnu gcc compiler.
The end result was that gromacs ran very slow.

On Tue, Aug 25, 2015 at 4:08 PM, Carlos Aguni <sorlaker at gmail.com> wrote:

> Hello guys.
>
> I've compiled Gromacs-5.1 with XLC 13.1.2 + ESSL and FFTW (altivec enabled)
> but
> I'm getting seg. fault while trying to run it.
> I'm testing it with 0000.96 workload. Here's its input:
> http://pastebin.com/Ezp95b2B
>
> Here's the error I'm getting:
>
> [ubuntu:19418] *** Process received signal ***
>
> [ubuntu:19418] Signal: Segmentation fault (11)
>
> [ubuntu:19418] Signal code: Address not mapped (1)
>
> [ubuntu:19418] Failing at address: 0x1beefdebd
>
> [ubuntu:19418] [ 0] [0x3fff99cc0478]
>
> [ubuntu:19418] [ 1]
> /lib/powerpc64le-linux-gnu/libpthread.so.0(pthread_mutex_lock+0x20)
> [0x3fff961fb6b0]
>
> [ubuntu:19418] [ 2] mdrun_mpi() [0x10266830]
>
> [ubuntu:19418] [ 3] mdrun_mpi(tMPI_Thread_mutex_lock+0x30) [0x1044f9f0]
>
> [ubuntu:19418] [ 4] mdrun_mpi(gmx_detect_hardware+0x44) [0x1035b974]
>
> [ubuntu:19418] [ 5] mdrun_mpi(mdrunner+0x2cc) [0x100d6bfc]
>
> [ubuntu:19418] [ 6] mdrun_mpi(_Z9gmx_mdruniPPc+0x14b0) [0x100e0540]
>
> [ubuntu:19418] [ 7] mdrun_mpi() [0x101271fc]
>
> [ubuntu:19418] [ 8]
> mdrun_mpi(_ZN3gmx24CommandLineModuleManager3runEiPPc+0x2f4) [0x1011bae4]
>
> [ubuntu:19418] [ 9]
>
> mdrun_mpi(_ZN3gmx24CommandLineModuleManager21runAsMainSingleModuleEiPPcPNS_26CommandLineModuleInterfaceE+0x9c)
> [0x1011bf4c]
>
> [ubuntu:19418] [10]
>
> mdrun_mpi(_ZN3gmx24CommandLineModuleManager14runAsMainCMainEiPPcPFiiS2_E+0x70)
> [0x1011c0e0]
>
> [ubuntu:19418] [11] mdrun_mpi(main+0x24) [0x100d0374]
>
> [ubuntu:19418] [12] /lib/powerpc64le-linux-gnu/libc.so.6(+0x24e80)
> [0x3fff96054e80]
>
> [ubuntu:19418] [13]
> /lib/powerpc64le-linux-gnu/libc.so.6(__libc_start_main+0xc4)
> [0x3fff96055074]
>
> [ubuntu:19418] *** End of error message ***
>
> --------------
>
> And here's the md.log:
>
> http://pastebin.com/GCkY136Q
>
>
> Is there anything I can do to help clarify this problem?
>
> Thanks in advance!
>
> Carlos.
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