Re: [AMBER-Developers] Amber12 release candidate 2: rism hang

From: Scott Brozell <sbrozell.rci.rutgers.edu>
Date: Fri, 30 Mar 2012 04:53:19 -0400

Hi,

I haven't looked at the code, but there are a lot of details here:
http://bugzilla.ambermd.org/show_bug.cgi?id=179

On Tue, Mar 27, 2012 at 08:55:42PM -0400, David A. Case wrote:
> On Tue, Mar 27, 2012, Scott Brozell wrote:
> >
> > Same platform but with MKL: now spc-kh and spc-psen hang
> > and tip3p-kh gives the error.
> > (spc-hnc passes.)
> >
> > It's clear that there is a memory bug somewhere.
> >
> > > > > > Red Hat 6.1, Intel 12.1.0, No MKL, x86_64, Only AmberTools serial 3/22/12 SRB
>
> Do we have any clues about what might be special about Scott's system, e.g.
> why Jason's reports (Ubuntu 10.04, Intel 12.1.0) don't show any similar
> errors?

It's just the random behavior of memory bugs.


> Intel 11.1 (with or without MKL) don't fail. Sounds like it may be up to
> Scott to debug, until we can figure out ways to get the failures to appear on
> other platforms, but suggestions are welcome.

AmberTools/test/rism1d/spc-kh runs.
stack trace no mkl
#1 0x0000003fde83406d in abort () from /lib64/libc.so.6
#2 0x00002b3aee30ee26 in for__issue_diagnostic ()
   from /usr/local/intel/composer_xe_2011_sp1.6.233/compiler/lib/intel64/libifcore.so.5
#3 0x00002b3aee31f560 in for__signal_handler ()
   from /usr/local/intel/composer_xe_2011_sp1.6.233/compiler/lib/intel64/libifcore.so.5
#4 <signal handler called>
#5 0x00000000004f0691 in dcopy_ ()
#6 0x00000000004a1231 in SAFEMEM::safemem_realloc_2d_real (
    safemem_realloc_2d_real=.0x2, p=Cannot access memory at address 0x1
) at safemem.F90:392
#7 0x000000000045949f in RISM1D_CLOSURE_C::rism1d_closure_getpressurefe (
    this=..., gvv=Cannot access memory at address 0x1) at rism1d_closure_c.F90:670
#8 0x000000000042844f in RISM1D_C::rism1d_getpressurefe (this=..., rhotrgt=Cannot access memory at address 0x1) at rism1d_c.F90:557
#9 0x00000000004082de in RISM1D_M::writetherm () at rism1d.F90:740
#10 0x000000000040226f in rism1d () at rism1d.F90:1266
#11 0x0000000000401e5c in main ()


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Received on Fri Mar 30 2012 - 02:00:03 PDT
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