AMBER: amber9 possible failure tgtmd

From: jlalonde <jlalonde.brynmawr.edu>
Date: Fri, 09 Feb 2007 11:19:19 -0500

Dear Users,

I have just installed Amber9 on a single node of a Beowulf cluster. The
serial test reported a possible failure in the targeted MD module (see
below). Has any one seen this error?

Thank you,
Judith


System intel xeon cpu 1500 mhz
i686
gfortran gcc 4.0.1
Red heat 4.0.105
Kernel 2.6.12-1.1456_FC4smp

./configure p4 gfortran

Possible failures in tgtmd.out.diff in
/usr/local/amber9/test/tgtmd/change_target

< Mask ":3-10.CA,N,C,O,H,HA" matches 47 atoms

---
 > Mask ":3-10.CA,N,C,O,H,HA" matches 58 atoms
Original 
trgmd.out.save----------------------------------------------------------------------
Targeted molecular dynamics:
tgtrmsd = 2.00000, tgtmdfrc= 1.00000
LOADING THE TARGETED MD ATOMS AS GROUPS
5. REFERENCE ATOM COORDINATES
Mask ":3-10.CA,N,C,O,H,HA" matches 47 atoms
Mask ":3-10.CA,N,C,O,H,HA" matches 47 atoms
New Test 
trgmd.out.----------------------------------------------------------------------
Targeted molecular dynamics:
tgtrmsd = 2.00000, tgtmdfrc= 1.00000
LOADING THE TARGETED MD ATOMS AS GROUPS
5. REFERENCE ATOM COORDINATES
| INFO: Old style inpcrd file read
Mask ":3-10.CA,N,C,O,H,HA" matches 58 atoms
Mask ":3-10.CA,N,C,O,H,HA" matches 47 atoms
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Received on Sun Feb 11 2007 - 06:07:34 PST
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