AMBER Archive (2009)

Subject: RE: [AMBER] Failures of tests

From: Seetin, Matthew (Matthew_Seetin_at_URMC.Rochester.edu)
Date: Wed Apr 08 2009 - 10:57:27 CDT

Did you get out files for those runs? At what point did they fail? Look in the plane_plane_restraint subdirectory for mdout.dinucAU_plpt. I'm not sure exactly which of the QMMM tests failed for you, though.

--Matt Seetin

-----Original Message-----
From: amber-bounces_at_ambermd.org on behalf of Per Jr. Greisen
Sent: Wed 4/8/2009 11:41 AM
To: AMBER Mailing List
Subject: [AMBER] Failures of tests
 
Hi all,

After having installed amber10 on a SunOS I want to test if it
correctly installed. I get some problem for both the serial as well as
the parallel version of amber which I am not quit sure how to resolve
the problem.
The problems are more or less the same for serial as well as parallel
- I start by making the test

make test.serial

which gives me the following errors

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.
Arithmetic Exception
  ./Run.dinuc_plpt: Program error
*** Error code 1
make: Fatal error: Command failed for target `test.sander.BASIC'

the same for

test.sander.QMMM.nopar
test.sander.QMMM

I think this might be a compiler issue between sun compiler versus
other compilers maybe with floating point exception or division by
zero(ftrap=%none?)...

Any help or comments appreciated thanks in advance

Best regards

Per

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