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

From: Scott Brozell <sbrozell.rci.rutgers.edu>
Date: Mon, 26 Mar 2012 03:37:35 -0400

Hi,

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 Mon Mar 26 2012 - 01:00:04 PDT
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