From: John Stone (
Date: Tue Feb 28 2017 - 12:53:46 CST

Hi Dallas,
  In this case, I'm betting that the issue is that the latest drivers and
CUDA 7.x have finally dropped support for the oldest "Fermi" (and older) GPUs.
I have a personally owned ~6-year old laptop with a GeForce 560M that's
in the same boat.

To get around this, there are a few major options:
  1) Buy a newer GPU. This is highly recommended if possible/feasible,
     but it is more of a challenge in the case of old laptops like mine.
  2) Compile VMD from source using CUDA 6.5 or older. The resulting binary
     won't run well on the newest "Pascal" GPUs, so this is a trade-off.

  3) Run VMD with CUDA support disabled:
         export VMDNOCUDA=1
         setenv VMDNOCUDA 1

  4) Continue running VMD 1.9.2 until you do one of 1/2/3

  John Stone

On Tue, Feb 28, 2017 at 11:32:54AM +1100, Dallas Warren wrote:
> Suspect they are all related? A point in the direction of what I
> should be looking at, updating, compiling etc would be appreciated.
> Thank you.
> Seen mentioned on the list that the CUDA message came up for older
> versions of vmd (1.9.1), but it was being fixed in 1.9.2
> The libGL issue something about old versions of the nvidia driver left
> hanging around?
> Opensuse: 42.1
> Kernel: 4.1.36-44
> NVIDIA Driver: 375.26
> Upon starting vmd:
> /usr/local/lib/vmd/vmd_LINUXAMD64: /usr/lib64/ no version
> information available (required by /usr/local/lib/vmd/vmd_LINUXAMD64)
> Info) VMD for LINUXAMD64, version 1.9.3 (November 30, 2016)
> Info)
> Info) Email questions and bug reports to
> 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: 35GB (97%)
> Info) Creating CUDA device pool and initializing hardware...
> CUDA error: invalid device symbol, line 56
> Info) Detected 1 available CUDA accelerator:
> Info) [0] GeForce GTX 550 Ti 4 SM_2.1 @ 1.80 GHz, 956MB 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) 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
> Upon selecting QuickSurf, other representations appear to work fine:
> terminate called after throwing an instance of 'thrust::system::system_error'
> what(): after cub_::DeviceRadixSort::SortPairs(0): invalid device function
> Abort
> Catch ya,
> Dr. Dallas Warren
> Drug Delivery, Disposition and Dynamics
> Monash Institute of Pharmaceutical Sciences, Monash University
> 381 Royal Parade, Parkville VIC 3052
> +61 3 9903 9304
> ---------------------------------
> When the only tool you own is a hammer, every problem begins to resemble a nail.

NIH Center for Macromolecular Modeling and Bioinformatics
Beckman Institute for Advanced Science and Technology
University of Illinois, 405 N. Mathews Ave, Urbana, IL 61801           Phone: 217-244-3349