From: Chang, Christopher (
Date: Fri Dec 13 2019 - 18:27:05 CST


   When attempting to install the prebuilt binary, I unpack the tarball, edit VMDDIR and TCL_LIBRARY settings in bin/ I can get a dispdev text session without problem, but when trying to run with a graphical interface I get

[cchang_at_ed1 ~]$ vglrun vmd
/projects/besqis/Packages/vmd-1.9.3/LINUXAMD64/vmd_LINUXAMD64: /lib64/ no version information available (required by /projects/besqis/Packages/vmd-1.9.3/LINUXAMD64/vmd_LINUXAMD64)
Info) VMD for LINUXAMD64, version 1.9.3 (November 30, 2016)
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, 36 CPUs detected.
Info) CPU features: SSE2 AVX AVX2 FMA KNL:AVX-512F+CD+ER+PF
Info) Free system memory: 636GB (84%)
Info) Creating CUDA device pool and initializing hardware...
Info) Detected 1 available CUDA accelerator:
Info) [0] Quadro GV100 80 SM_7.0 @ 1.63 GHz, 32GB 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 GV100/PCIe/SSE2
Info) Full GLSL rendering mode is available.
Info) Textures: 2-D (32768x32768), 3-D (16384x16384x16384), Multitexture (4)
Info) X-Windows ClientMessage-based Spaceball device available.
Info) Detected 1 available TachyonL/OptiX ray tracing accelerator
Info) Compiling 1 OptiX shaders on 1 target GPU...
ERROR) OptiXRenderer) ERROR: File not found (Details: Function "RTresult _rtProgramCreateFromPTXFile(RTcontext, const char*, const char*, RTprogram_api**)" caught exception: /projects/besqis/Packages/vmd-1.9.3/shaders/OptiXShaders.ptx) (OptiXRenderer.C:3898

What needs to be set so that this file is found?

Thanks; Chris

Christopher Chang, Ph.D.
Computational Scientist
National Renewable Energy Laboratory
15013 Denver West Parkway, MS ESIF301
Golden, CO 80401