From: Giacomo Fiorin (
Date: Tue Dec 10 2019 - 08:35:12 CST

Hi Giulia, if it helps I'm running successfully the OptiX-supported VMD on
CentOS 7 on a dozen workstations with different Intel CPU and NVIDIA GPU
configurations. I installed the NVIDIA driver as part of the CUDA bundle,
rather than separately. Admittedly the GPUs are based on Pascal-generation
chips and not the more recent Turing like yours.

To get more help, you may want to paste the output of nvidia-smi on the
CentOS and Ubuntu systems, and also report whether OSPRay works: since it
uses the graphics chip of the Intel CPU and skips the discrete GPU
entirely, that should tell a bit more.


On Mon, Dec 9, 2019 at 6:00 PM giulia palermo <>

> Dear VMD developers,
> we recently installed vmd-1.9.3 with cuda, OPTIX and ospray support on
> centos 7 systems (total 4 systems, 64 bit os, Intel Xeon, Nvidia rtx2060
> and rtx2080ti) via the module system. On all systems, the latest cuda
> version (cuda 10.1) is installed along with the latest display driver from
> NVIDIA. The startup of vmd also gives no errors. However, when we attempt
> to ray trace the loaded molecule, the option to use Tachyon+OPTIX is simply
> missing from the systems. Installing the latest vmd-1.9.4 alpha build
> locally have the same results.
> The issue that vexes us is that on an identical system with same gpus,
> cuda version but only ubuntu-18.04 64 bit LTS version, the Tachyon+
> OPTIX/ospray works.
> Can the developers please aid us in this matter to get the OPTIX ray
> tracing working properly?
> With warm regards,
> Giulia Palermo

Giacomo Fiorin
Associate Professor of Research, Temple University, Philadelphia, PA
Research collaborator, National Institutes of Health, Bethesda, MD