Hi,
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.
scott
On Mon, Mar 26, 2012 at 03:37:35AM -0400, Scott Brozell wrote:
> Same platform, another run: now spc-kh gives an error
> and spc-hnc and spc-psen hang.
>
> if [ -n "testrism" ]; then cd ./rism1d/spc-kh && ./Run.spc; fi
> eunit 0
> ERROR> reallocation_pointer deallocate error: 2D REAL 3
> 1
> ./Run.spc: Program error
>
> if [ -n "testrism" ]; then cd ./rism1d/spc-psen && ./Run.spc-nacl-3; fi
> Killed
> if [ -n "testrism" ]; then cd ./rism1d/spc-hnc && ./Run.spc-lj; fi
> Killed
>
> scott
>
> On Fri, Mar 23, 2012 at 04:28:26PM -0400, Scott Brozell wrote:
> > Note that control-c terminated testing but not rism1d:
> > 11547 scott 20 0 68068 38m 2040 R 99.9 0.2 727:47.83 rism1d
> >
> > If that first test, spc-kh, is commented out then there are no
> > more hangs. Everything passes except:
> >
> > diffing spc-nacl-3.gvv_dT.save with spc-nacl-3.gvv_dT
> > possible FAILURE: check spc-nacl-3.gvv_dT.dif
> > ==============================================================
> > if [ -n "testrism" ]; then cd ./rism1d/spc-hnc && ./Run.spc-lj; fi
> > eunit 0
> > ERROR> reallocation_pointer deallocate error: 2D REAL 3
> > 1
> > ./Run.spc-lj: Program error
> >
> >
> > The dif is round off.
> > The error may be a big clue.
> >
> > scott
> >
> > On Fri, Mar 23, 2012 at 03:44:47PM -0400, David A Case wrote:
> > > On Fri, Mar 23, 2012, Scott Brozell wrote:
> > > >
> > > > Red Hat 6.1, Intel 12.1.0, No MKL, x86_64, Only AmberTools serial 3/22/12 SRB
> > > > Configure command: ./configure intel
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Received on Tue Mar 27 2012 - 14:30:06 PDT
