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.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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Received on Fri Apr 10 2009 - 01:09:53 PDT
