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

[Carlos Aguni]

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.