VMD-L Mailing List

From: Daniel Möller (daniel.moeller3_at_uni-greifswald.de)
Date: Fri Nov 27 2015 - 04:33:06 CST

Hi,

 

seems I discovered a memory leak in V1.9.2 while running an analyse script.
The script simply performs the following steps:

1. Load a new molecule with structure (amber7 parm) and trajectory
(NAMD dcd)

2. Carry out some analysis

3. Delete molecule to free RAM

4. Goto 1

 

Example code:

mol new {mol1.top} type {parm7} first 0 last -1 step 1 waitfor 1

mol addfile {mol1.dcd} type {dcd} first 0 last -1 step 25 waitfor -1 0

# some analyse scripts, which are clean (also happens without)

mol delete 0

 

mol new {mol2.top} type {parm7} first 0 last -1 step 1 waitfor 1

mol addfile {mol2.dcd} type {dcd} first 0 last -1 step 25 waitfor -1 1

# some analyse scripts, which are clean (also happens without)

mol delete 1

and so on.

 

But after deleting the molecule VMD doesn’t reuse the memory, but uses new
free memory which adds to the previously used memory.

This shows up on GUI or TEXTMODE.

 

 

Sincerely

 

Daniel Möller

  

--
------------------------
Dipl. Biochem. Daniel Möller
 
Biophysical Chemistry
Institut of Biochemistry
Unversity of Greifswald
Felix-Hausdorff-Strasse 4
17489 Greifswald - Germany
 
Tel +49 3834 86 4406
 
http://www.mnf.uni-greifswald.de/institute/institut-fuer-biochemie/biophysik
alische-chemie.html