Hi Lachele
> ==========================
> The first issue
> ==========================
> keats:src>cd ../test ; make test
> <snip>
> cd qmmm2/pure_QM_MD && ./Run.nma_md_qmgb1
> Segmentation fault
> ./Run.nma_md_qmgb1: Program error
> make: *** [test.sander.QMMM.nopar] Error 1
Issue 1 - fixed.
Note, I still get lots of problems with the NCSU SMD stuff and gfortran
4.1.2-42 in serial.
[14:40][caffeine:7.48][rcw:test]$ make test.ncsu.serial
cd ncsu && ./run-serial.sh
>>>>>>> doing 'abmd_ANALYSIS'
>>>>>>> doing 'abmd_FLOODING'
>>>>>>> doing 'abmd_UMBRELLA'
>>>>>>> doing 'smd'
diffing save/mdout with mdout
possible FAILURE: check mdout.dif
==============================================================
cat: smd.txt: No such file or directory
diffing save/smd.txt with smd.txt
possible FAILURE: check smd.txt.dif
==============================================================
>>>>>>> doing 'pmd'
diffing save/mdout with mdout
possible FAILURE: check mdout.dif
==============================================================
cat: pmd.txt: No such file or directory
diffing save/pmd.txt with pmd.txt
possible FAILURE: check pmd.txt.dif
==============================================================
cat TEST_FAILURES.diff
possible FAILURE: check mdout.dif
/home/rcw/cvs_checkouts/amber11/test/ncsu/smd
104,237c104
< NCSU : * * * * * * * * S T E E R E D M.D. * * * * * * *
* *
< NCSU :
< NCSU : output_file = smd.txt
...
...
---
> ** NCSU-Error ** : expected list value for key 'i', got '<EMPTY>' instead
---------------------------------------
possible FAILURE: check smd.txt.dif
etc etc.
All the best
Ross
Received on Fri Dec 05 2008 - 10:34:22 PST
