[Open3dalign-discuss] log files

[Floersheim, P. <phi...@no...>]

A question of a novice to more experienced  users:

How do I get a log file from a batch run

Open3dalign -i test.inp -o test.out

The error message in the file test.out

 qmd_sar_xxx.inp - Line 3
An error occurred during one or more QMD procedures; please check your input/output/log files.
QMD failed.


Job finished on Wed Aug 24 11:47:41 2011

Abnormal exit.

tells me to look  for log files, but there are none, and I have checked ./qmd_sar_xxx .


Line 3 is: qmd prm=~/o3a/open3dtools/share/tinker qmd_dir=./qmd_sar_xxx


Is there a  "verbose" or  a "debug" option  ?

Thanks for your kind help,


Dr. Philipp Floersheim
Novartis Pharma AG
Postfach
CH-4002 Basel
SWITZERLAND

Phone    +41 61 3245173
Fax          +41 61 3242686
phi...@no...<mailto:phi...@no...>
www.novartis.com<http://www.novartis.com/>

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