http://bugzilla.ambermd.org/show_bug.cgi?id=11
--- Comment #2 from Ross Walker <rcw.sdsc.edu> 2008-01-15 14:59:40 PST ---
Additional Informatin - Test case still fails as of Amber 10 15 Jan 2008 CVS
Tree. On X86_64 with
Intel(R) Fortran Compiler for applications running on Intel(R) 64, Version 10.1
Build 20070913 Package ID: l_fc_p_10.1.008
Copyright (C) 1985-2007 Intel Corporation. All rights reserved.
/opt/intel/mkl/10.0.1.014/
cd plane_plane_restraint && ./Run.dinuc_plpt
SANDER: Dinucleoside restrained with new plane-point angle
restraint that was defined with new natural
language restraint input.
forrtl: severe (174): SIGSEGV, segmentation fault occurred
./Run.dinuc_plpt: Program error
make: *** [test.sander.BASIC] Error 1
Output file ends at Flags:
-------------------------------------------------------
Amber 9 SANDER 2006
-------------------------------------------------------
| Run on 01/15/2008 at 14:52:37
[-O]verwriting output
File Assignments:
| MDIN: gbin
| MDOUT: mdout.dinucAU_plpt
|INPCRD: dinucAU_in.restrt
| PARM: dinucAU.prmtop
|RESTRT: restrt
| REFC: refc
| MDVEL: mdvel
| MDEN: mden
| MDCRD: mdcrd
|MDINFO: mdinfo
|INPDIP: inpdip
|RSTDIP: rstdip
Here is the input file:
Plane-Point Test w/ an isolated AU pair
&cntrl
nstlim=10, cut=99.0, igb=1, saltcon=0.1,
ntpr=1, ntwr=100000, ntt=3, gamma_ln=0.0,
ntx=5, irest=1,
ntc=2, ntf=2, tol=0.000001,
dt=0.001, ntb=0,
nmropt=1,
/
&wt type='DUMPFREQ', istep1=1 /
&wt type='END' /
DISANG=dinuc_plpt.rst
DUMPAVE=dinuc_plpt_vs_t
LISTIN=POUT
LISTOUT=POUT
--------------------------------------------------------------------------------
1. RESOURCE USE:
--------------------------------------------------------------------------------
| Flags:
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Received on Wed Jan 16 2008 - 06:07:32 PST
