Hi All,
Has anyone else noticed problems running the test cases for AMBER Tools?
I just tried the following with ifort l_fc_p_10.1.018 and mkl 10.1.1.019
cvs co amber11
cd amber11/src/
./configure -static intel
make -f Makefile_at
cd ../test/
make -f Makefile_at
and I get a segfault on the very first test case:
( cd nab; make test )
make[1]: Entering directory
`/server-home/rcw/cvs_checkouts/amber11/test/nab'
=====================================================
Running test to make dna duplex:
/bin/sh: line 1: 12593 Segmentation fault ./duplex <duplex.in
make[1]: *** [duplex_test] Error 139
make[1]: Leaving directory `/server-home/rcw/cvs_checkouts/amber11/test/nab'
make: *** [test.nab] Error 2
If I remove test.nab as a target from the default test cases then things
work with test failures for the ash and sustiva antechamber tests due to
variations in the charges in the 3rd decimal place. I then get a bunch of
differences for 1ubqH.pdb in test/reduce.
Finally things keep running fine until pbsa_trx where Run.trxox.min dies
with a segfault. At this point I haven't tried the rest of the test cases.
Do other people see the same problems?
It looks like we are not ready to ship AMBERTools yet.
All the best
Ross
/\
\/
|\oss Walker
| Assistant Research Professor |
| San Diego Supercomputer Center |
| Tel: +1 858 822 0854 | EMail:- ross.rosswalker.co.uk |
|
http://www.rosswalker.co.uk | PGP Key available on request |
Note: Electronic Mail is not secure, has no guarantee of delivery, may not
be read every day, and should not be used for urgent or sensitive issues.
_______________________________________________
AMBER-Developers mailing list
AMBER-Developers.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber-developers
Received on Thu Oct 29 2009 - 17:00:02 PDT
