[PyMOL] Does (PDB) size really matter? (Help!)

2004-04-24 Thread Jason Vertrees
PyMolers,

Our setup is a Dual Xeon 3.2 GHz 1GB RAM and Nvidia Quadro running PyMol
0.95.  (Also available, Dual Opteron 240 64-Bit Linux w/0.95 w/1 GB RAM
w/same problems.)

We are trying to render a nifty movie but can't.  PyMol keeps crashing
during the render process.  The scene had originally 185,000 atoms, but
now I've snipped out some cutting it down to 85,000 or so.

The command ray 800, 600 dies.  I then collected all of my bilayer
segment objects into one larger one (so, instead of 8 objects I had one
8x as large, hoping that the reduction in the number of objects freed up
some RAM.)

The movie script for scene1 is http://www.vertrees.org/~tree/scene1.py. 
I'm very new to making movies, but it does what I want.

Here's some PyMol output:

PyMOLcount_atoms
 count_atoms: 86220 atoms

PyMOLray
VLAMalloc-ERR: realloc failed

*** EEK!  PyMOL just ran out of memory and crashed.  To get around this,
***
*** you may need to reduce the quality, size, or complexity of the scene
***
*** that you are viewing or rendering.Sorry for the inconvenience...
***

/usr/bin/pymol.com: line 2: 11531 Aborted
/usr/bin/python /usr/lib64/python2.3/site-packages/pymol/__init__.py $*

Any ideas on how we can keep the movie w/o sacrificing quality or number
of atoms?  If need be, I can probably trim another 3,000-10,000 (max)
atoms out.


Much TIA,

-- Jason

-- 
Jason Vertrees
BSCB Graduate Student @ UTMB, Galveston
javer...@utmb.edu :: http://www.bscb.utmb.edu



RE: [PyMOL] Does (PDB) size really matter? (Help!)

2004-04-24 Thread Warren DeLano
Ack!  Sorry to hear this.

The two things that determine memory usage when rendering are:

1) the total number of primitives (spheres, triangles, cylinder [i.e. lines]
etc.)
2) the value of hash_max

#1 may not be easily remedied for your scene

#2 can be improved by setting hash_max to something like 65 or 50.
Rendering will take much longer, but less RAM will be used.

~200k atoms really shouldn't be a problem on a machine with that kind of
RAM, so there is also a chance here you might be experiencing a bug.  It
might be worth emailing me a (compressed?) copy of the session file just to
be sure...

I don't see anything wrong with your script.

Cheers,
Warren

 -Original Message-
 From: pymol-users-ad...@lists.sourceforge.net 
 [mailto:pymol-users-ad...@lists.sourceforge.net] On Behalf Of 
 Jason Vertrees
 Sent: Saturday, April 24, 2004 6:50 PM
 To: PyMol Users List
 Cc: Tzintzuni Garcia I.; Roger B. Sutton
 Subject: [PyMOL] Does (PDB) size really matter? (Help!)
 
 PyMolers,
 
 Our setup is a Dual Xeon 3.2 GHz 1GB RAM and Nvidia Quadro 
 running PyMol 0.95.  (Also available, Dual Opteron 240 64-Bit 
 Linux w/0.95 w/1 GB RAM w/same problems.)
 
 We are trying to render a nifty movie but can't.  PyMol keeps 
 crashing during the render process.  The scene had originally 
 185,000 atoms, but now I've snipped out some cutting it down 
 to 85,000 or so.
 
 The command ray 800, 600 dies.  I then collected all of my 
 bilayer segment objects into one larger one (so, instead of 8 
 objects I had one 8x as large, hoping that the reduction in 
 the number of objects freed up some RAM.)
 
 The movie script for scene1 is 
 http://www.vertrees.org/~tree/scene1.py. 
 I'm very new to making movies, but it does what I want.
 
 Here's some PyMol output:
 
 PyMOLcount_atoms
  count_atoms: 86220 atoms
 
 PyMOLray
 VLAMalloc-ERR: realloc failed
 **
 **
 *** EEK!  PyMOL just ran out of memory and crashed.  To get 
 around this,
 ***
 *** you may need to reduce the quality, size, or complexity 
 of the scene
 ***
 *** that you are viewing or rendering.Sorry for the 
 inconvenience...
 ***
 **
 **
 /usr/bin/pymol.com: line 2: 11531 Aborted
 /usr/bin/python 
 /usr/lib64/python2.3/site-packages/pymol/__init__.py $*
 
 Any ideas on how we can keep the movie w/o sacrificing 
 quality or number of atoms?  If need be, I can probably trim 
 another 3,000-10,000 (max) atoms out.
 
 
 Much TIA,
 
 -- Jason
 
 --
 Jason Vertrees
 BSCB Graduate Student @ UTMB, Galveston
 javer...@utmb.edu :: http://www.bscb.utmb.edu
 
 
 ---
 This SF.net email is sponsored by: The Robotic Monkeys at ThinkGeek
 For a limited time only, get FREE Ground shipping on all orders of $35
 or more. Hurry up and shop folks, this offer expires April 30th!
 http://www.thinkgeek.com/freeshipping/?cpg=12297
 ___
 PyMOL-users mailing list
 PyMOL-users@lists.sourceforge.net
 https://lists.sourceforge.net/lists/listinfo/pymol-users