Hi,
some Bugs in the Spin System Types Dialog:
When starting the function there is this warning:
>>> Typing spin systems
Deprecated: getByKey called with too short key
from doLoad line 770
in /opt/ccpnmr/ccpnmr1.0/python/memops/format/xml/XmlIO.py:
[" obj = oo.getByKey(endMap['class'],useKey)\n"]
Deprecated: getByKey called with too short key
from doLoad line 770
in /opt/ccpnmr/ccpnmr1.0/python/memops/format/xml/XmlIO.py:
[" obj = oo.getByKey(endMap['class'],useKey)\n"]
And more important there is an X ressource lockup after some runtime.
During the first steps maybe the first minute, cpu time is mainly on the
python process but quickly Xorg gains a lot.
Later, after some minutes Xorg dominates the scheduler and after some thousand
steps the screen updates very slowly, the step counter jumps some hundreds at
a time after minutes without update and the whole desktop becomes non
responsive because Xorg sticks to 98%. I had the function ran overnight with
the default 100000 steps and I found a completely unusable desktop where
every click took minutes and I had to kill the python from remote, so I can
not tell you how many steps it had finished after 12 hours.
Tolga
|