VMD-L Mailing List

From: lucie delemotte (lucie.delemotte_at_edam.uhp-nancy.fr)
Date: Tue Jun 02 2009 - 10:31:26 CDT

Hi all,

I have a vmd state script (state.vmd) that was working properly with vmd
1.8.6.
After upgrading from mandriva 2008.0 to mandriva 2009.1 and changing to vmd
1.8.7, the script stopped loading (either in command line with vmd -e
state.vmd or in the Tkconsole with the play command). The openGL window pops
up but nothing appears in it while the vmd main window doesn't open. In the
console, the regular vmd stuff appears :

Info) VMD for LINUX, version 1.8.7beta5 (June 1, 2009)

Info) http://www.ks.uiuc.edu/Research/vmd/

Info) Email questions and bug reports to vmd_at_ks.uiuc.edu

Info) Please include this reference in published work using VMD:

Info) Humphrey, W., Dalke, A. and Schulten, K., `VMD - Visual

Info) Molecular Dynamics', J. Molec. Graphics 1996, 14.1, 33-38.

Info) -------------------------------------------------------------

Info) Multithreading available, 2 CPUs detected.

Info) Free system memory: 326MB (16%)

Info) No CUDA accelerator devices available.

Info) OpenGL renderer: Quadro FX 3450/4000 SDI/PCI/SSE2

Info) Features: STENCIL MSAA(16) MDE CVA MTX NPOT PP PS GLSL(OVF)

Info) Full GLSL rendering mode is available.

Info) Textures: 2-D (4096x4096), 3-D (512x512x512), Multitexture (4)

psfplugin) Detected a Charmm31 PSF file

Info) Using plugin psf for structure file kv1.5.26.0.psf

Info) Analyzing structure ...

Info) Atoms: 305464

Info) Bonds: 221738

Info) Angles: 172116 Dihedrals: 117638 Impropers: 4748 Cross-terms:
1552
Info) Bondtypes: 0 Angletypes: 0 Dihedraltypes: 0 Impropertypes:
0
Info) Residues:
85614
Info) Waters:
83392
Info) Segments:
21
Info) Fragments: 84058 Protein: 4 Nucleic:
0

I tested versions beta.2, beta.3 and beta.5 unsuccessfully. I also checked
that the script is still working on another computer. It also appears that
vmd 1.8.6 is not working at all (vmd main window not appearing) on the new
installation.
The Nvidia drivers are well installed with the latest version : 180.51
Tcl/Tk version 8.6
gcc (GCC) 4.3.2

I tried the debug mode to check what was wrong and interstingly, my
state.vmd file loads properly (gdb version : 6.8-6mdv2009.1).

Any help would be greatly appreciated.
Lucie