VMD-L Mailing List

From: Dallas Warren (dallas.warren_at_monash.edu)
Date: Mon Aug 21 2017 - 20:59:58 CDT

Thank you for the reply Josh.

Okay, looks like a previous issue I have had is coming back to haunt
me. I had problems with some rendering, and to avoid that issued set
VMDNOCUDA.

http://www.ks.uiuc.edu/Research/vmd/mailing_list/vmd-l/28339.html

When VMDNOCUDA is set, which is how I have been running vmd, I get the
following.

/usr/local/lib/vmd/vmd_LINUXAMD64: /usr/X11R6/lib64/libGL.so.1: no
version information available (required by
/usr/local/lib/vmd/vmd_LINUXAMD64)
Info) VMD for LINUXAMD64, version 1.9.3 (November 30, 2016)
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, 12 CPUs detected.
Info) CPU features: SSE2 AVX
Info) Free system memory: 30GB (85%)
Info) VMDNOCUDA environment variable is set, CUDA support disabled.
Info) No CUDA accelerator devices available.
Warning) Detected X11 'Composite' extension: if incorrect display occurs
Warning) try disabling this X server option. Most OpenGL drivers
Warning) disable stereoscopic display when 'Composite' is enabled.
Info) OpenGL renderer: GeForce GTX 550 Ti/PCIe/SSE2
Info) Features: STENCIL MSAA(4) MDE CVA MTX NPOT PP PS GLSL(OVFGS)
Info) Full GLSL rendering mode is available.
Info) Textures: 2-D (16384x16384), 3-D (2048x2048x2048), Multitexture (4)
Info) Dynamically loaded 2 plugins in directory:
Info) /usr/local/lib/vmd/plugins/LINUXAMD64/molfile
after#0

If I don't set VMDNOCUDA then this is what I get, and the optix
rendering option is still not available on the render drop down menu.

/usr/local/lib/vmd/vmd_LINUXAMD64: /usr/X11R6/lib64/libGL.so.1: no
version information available (required by
/usr/local/lib/vmd/vmd_LINUXAMD64)
Info) VMD for LINUXAMD64, version 1.9.3 (November 30, 2016)
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, 12 CPUs detected.
Info) CPU features: SSE2 AVX
Info) Free system memory: 30GB (85%)
Info) Creating CUDA device pool and initializing hardware...
CUDA error: invalid device symbol, CUDAClearDevice.cu line 56
Info) Detected 1 available CUDA accelerator:
Info) [0] GeForce GTX 550 Ti 4 SM_2.1 @ 1.80 GHz, 961MB RAM, KTO, AE1, ZCP
Warning) Detected X11 'Composite' extension: if incorrect display occurs
Warning) try disabling this X server option. Most OpenGL drivers
Warning) disable stereoscopic display when 'Composite' is enabled.
Info) OpenGL renderer: GeForce GTX 550 Ti/PCIe/SSE2
Info) Features: STENCIL MSAA(4) MDE CVA MTX NPOT PP PS GLSL(OVFGS)
Info) Full GLSL rendering mode is available.
Info) Textures: 2-D (16384x16384), 3-D (2048x2048x2048), Multitexture (4)
Info) Dynamically loaded 2 plugins in directory:
Info) /usr/local/lib/vmd/plugins/LINUXAMD64/molfile
after#0

Looks like I need to get a new graphics card, current one is getting a
bit long in the tooth.
Catch ya,

Dr. Dallas Warren
Drug Delivery, Disposition and Dynamics
Monash Institute of Pharmaceutical Sciences, Monash University
381 Royal Parade, Parkville VIC 3052
dallas.warren_at_monash.edu
---------------------------------
When the only tool you own is a hammer, every problem begins to resemble a nail.

On 22 August 2017 at 11:18, Vermaas, Joshua <Joshua.Vermaas_at_nrel.gov> wrote:
> Hi Dallas,
>
> The short answer is yes. Based on the configure options of both the precompiled Linux binaries and your configure options, the OptiX renderer ought to show up on your list of available renderers. However, this does depend on VMD finding the graphics card at startup. I've bolded the relevant lines that I get at startup.
>
> josh_at_orange:~$ vmd
> Info) VMD for LINUXAMD64, version 1.9.3 (August 10, 2017)
> Info) http://www.ks.uiuc.edu/Research/vmd/
> Info) Email questions and bug reports to vmd_at_ks.uiuc.edu<mailto: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, 20 CPUs detected.
> Info) Free system memory: 53GB (84%)
> Info) Creating CUDA device pool and initializing hardware...
> Info) Detected 1 available CUDA accelerator:
> Info) [0] Quadro M5000 16 SM_5.2 @ 1.04 GHz, 7.9GB RAM, KTO, AE2, ZCP
> Warning) Detected X11 'Composite' extension: if incorrect display occurs
> Warning) try disabling this X server option. Most OpenGL drivers
> Warning) disable stereoscopic display when 'Composite' is enabled.
> Info) OpenGL renderer: Quadro M5000/PCIe/SSE2
> Info) Features: STENCIL MSAA(4) MDE CVA MTX NPOT PP PS GLSL(OVFGS)
> Info) Full GLSL rendering mode is available.
> Info) Textures: 2-D (16384x16384), 3-D (4096x4096x4096), Multitexture (4)
> Info) Detected 1 available TachyonL/OptiX ray tracing accelerator
> Info) Compiling 1 OptiX shaders on 1 target GPU...
>
> How does this compare with what you see?
>
> -Josh
>
> On 08/21/2017 07:14 PM, Dallas Warren wrote:
>
> Should the TachyonL-OptiX renderer option be visible in the render
> window drop down options with the default installation of vmd?
>
> Here is a screen shot of the drop down options that appear:
> https://na01.safelinks.protection.outlook.com/?url=https%3A%2F%2Fpbs.twimg.com%2Fmedia%2FDHywOqPUwAE4trS.jpg%3Alarge&data=02%7C01%7CJoshua.Vermaas%40nrel.gov%7C6ce0fe430b8f448f428408d4e8fb1010%7Ca0f29d7e28cd4f5484427885aee7c080%7C0%7C0%7C636389612389865757&sdata=fOvoj3fVd1dZM7k2jMZRtWaMmrJa58wgii43Ku20vU8%3D&reserved=0
>
> My configure options were:
>
> using configure.options: LINUXAMD64 OPENGL OPENGLPBUFFER FLTK TK ACTC
> CUDA IMD LIBSBALL XINERAMA XINPUT LIBOPTIX LIBOSPRAY LIBTACHYON VRPN
> NETCDF COLVARS TCL PYTHON PTHREADS NUMPY SILENT ICC
>
> FYI, I am looking to generate some 3D videos, following instructions
> here: https://na01.safelinks.protection.outlook.com/?url=http%3A%2F%2Fwww.ks.uiuc.edu%2FResearch%2Fvmd%2Fminitutorials%2Fvrmovies%2F&data=02%7C01%7CJoshua.Vermaas%40nrel.gov%7C6ce0fe430b8f448f428408d4e8fb1010%7Ca0f29d7e28cd4f5484427885aee7c080%7C0%7C0%7C636389612389865757&sdata=%2FlzvTFXvwgLO%2F9P4JuLo1CZ%2BIDYkfey2wlIoA9WT3bE%3D&reserved=0
>
> Catch ya,
>
> Dr. Dallas Warren
> Drug Delivery, Disposition and Dynamics
> Monash Institute of Pharmaceutical Sciences, Monash University
> 381 Royal Parade, Parkville VIC 3052
> dallas.warren_at_monash.edu<mailto:dallas.warren_at_monash.edu>
> ---------------------------------
> When the only tool you own is a hammer, every problem begins to resemble a nail.
>
>
>
>