VMD-L Mailing List

From: Stefan Boresch (stefan_at_mdy.univie.ac.at)
Date: Fri Nov 04 2022 - 02:15:43 CDT

Hi John,

thanks for the update on this issue, which I (have) encounter(er)
myself, both for me and students I teach. What I find most puzzling is
that I have not yet discovered any "logic behind the problem". I/my
students have (Windows) machines where VMD (1.9.4.a5X) starts out of
the box, and others where the VMDNOOSPRAY trick is needed.

Best regards,
Stefan (Boresch)

On Thu, Nov 03, 2022 at 01:44:56PM -0500, John Stone wrote:
> Hi,
> If you set a Windows global environment variable VMDNOOSPRAY to 1,
> that will prevent VMD from trying to intialize the Intel OSPRay ray tracing
> library, and avoid the problem you're seeing.
>
> Using the Windows program/search box, you can type "environment" and
> select the "Edit the system environment variables" control panel,
> and after opening that, you can click on the "Environment Variables"
> button in the System Properties window in the Advanced tab.
> After clicking on the "Environment Variables" button, you should
> have a window with both user, and system-wide environment
> variables shown, and you can add a new one "VMDNOOSPRAY" with a value of 1.
>
> Best,
> John Stone
> vmd_at_ks.uiuc.edu
>
> On Thu, Nov 03, 2022 at 04:01:49PM +0000, Atanu Acharya wrote:
> > Hi there,
> >
> > I am using VMD for teaching a comp chem class. The classroom and
> > student computers have Windows 11 OS. Unfortunately, the latest windows
> > version of VMD 1.9.4a53 crashes immediately after launch.
> >
> > I am a rookie with the windows setup. However, browsing through some of
> > the previous errors, I found that "set VMDNOOSPRAY=1" solved the problem
> > in some cases. However, it does not work in our case.
> >
> > These computers do not have any dedicated GPUs. Any help is highly
> > appreciated. The error message is the following.
> >
> >
> >
> > PS C:\Program Files\VMD> .\vmd.exe
> >
> > Info) VMD for WIN64, version 1.9.4a53 (June 29, 2021)
> >
> > Info) [1]http://www.ks.uiuc.edu/Research/vmd/
> >
> > Info) Email questions and bug reports to [2]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, 24 CPUs, ISA dispatch enabled.
> >
> > Info) CPU features: SSE2 SSE4.1 AVX AVX2 FMA F16 HT
> >
> > Info) Detected VM or hypervisor execution environment
> >
> > Info) Free system memory: 24GB (74%)
> >
> > Info) No CUDA accelerator devices available.
> >
> > Info) OpenGL renderer: Intel(R) UHD Graphics 770
> >
> > Info) Features: STENCIL MDE CVA MTX NPOT PP PS GLSL(OVFGS)
> >
> > Info) Full GLSL rendering mode is available.
> >
> > Info) Textures: 2-D (16384x16384), 3-D (1024x1024x1024), Multitexture
> > (8)
> >
> > Info) No joysticks found. Joystick interface disabled.
> >
> > #osp: INITIALIZATION ERROR --> #osp:api: could not find module initializer
> > ospray_init_module_ispc
> >
> > #osp: INITIALIZATION ERROR --> Could not find device of type: default.
> > Make sure you have the correct OSPRay libraries linked.
> >
> > #osp: INITIALIZATION ERROR --> OSPRay not yet initialized (most likely
> > this means you tried to call an ospray API function before first calling
> > ospInit())(pid 3136)
> >
> >
> >
> > PS C:\Program Files\VMD> set VMDNOOSPRAY=1
> >
> >
> >
> > PS C:\Program Files\VMD> .\vmd.exe
> >
> > Info) VMD for WIN64, version 1.9.4a53 (June 29, 2021)
> >
> > Info) [3]http://www.ks.uiuc.edu/Research/vmd/
> >
> > Info) Email questions and bug reports to [4]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, 24 CPUs, ISA dispatch enabled.
> >
> > Info) CPU features: SSE2 SSE4.1 AVX AVX2 FMA F16 HT
> >
> > Info) Detected VM or hypervisor execution environment
> >
> > Info) Free system memory: 24GB (75%)
> >
> > Info) No CUDA accelerator devices available.
> >
> > Info) OpenGL renderer: Intel(R) UHD Graphics 770
> >
> > Info) Features: STENCIL MDE CVA MTX NPOT PP PS GLSL(OVFGS)
> >
> > Info) Full GLSL rendering mode is available.
> >
> > Info) Textures: 2-D (16384x16384), 3-D (1024x1024x1024), Multitexture
> > (8)
> >
> > Info) No joysticks found. Joystick interface disabled.
> >
> > #osp: INITIALIZATION ERROR --> #osp:api: could not find module initializer
> > ospray_init_module_ispc
> >
> > #osp: INITIALIZATION ERROR --> Could not find device of type: default.
> > Make sure you have the correct OSPRay libraries linked.
> >
> > #osp: INITIALIZATION ERROR --> OSPRay not yet initialized (most likely
> > this means you tried to call an ospray API function before first calling
> > ospInit())(pid 10388)
> >
> >
> >
> >
> >
> > Thank you,
> >
> > Atanu
> >
> >
> >
> >
> >
> > --
> >
> > ========================================================
> >
> > Atanu Acharya
> >
> > Assistant Professor
> >
> > Department of Chemistry | BioInspired Syracuse
> >
> > Syracuse University
> >
> > Office: Center for Science and Technology, 4-010
> >
> > Syracuse, New York 13244
> >
> > Webpage: [5]https://urldefense.com/v3/__http://www.AcharyaLab.com__;!!DZ3fjg!_-niQcHqsGWZdBsBlthYjXKAVDEkVkHMXAHWwii8Abh4SQvWsEfGw-vSWPrE9FI2gxQaPY_c4Cz73TvBoi42mLs7$
> >
> > Phone: 315.443.5487
> >
> > ========================================================
> >
> >
> >
> > References
> >
> > Visible links
> > 1. http://www.ks.uiuc.edu/Research/vmd/
> > http://www.ks.uiuc.edu/Research/vmd/
> > 2. mailto:vmd_at_ks.uiuc.edu
> > mailto:vmd_at_ks.uiuc.edu
> > 3. http://www.ks.uiuc.edu/Research/vmd/
> > http://www.ks.uiuc.edu/Research/vmd/
> > 4. mailto:vmd_at_ks.uiuc.edu
> > mailto:vmd_at_ks.uiuc.edu
> > 5. https://urldefense.com/v3/__http://www.AcharyaLab.com__;!!DZ3fjg!43Ajj4125d2d0pNW_7MQI4u81208d1wTeRcusvtLeVAY-zFYD3QURBWgAWJ3DwRZsk02qMsah4njPB4o7Pk$
>
> --
> Research Affiliate, NIH Center for Macromolecular Modeling and Bioinformatics
> Beckman Institute for Advanced Science and Technology
> University of Illinois, 405 N. Mathews Ave, Urbana, IL 61801
> http://www.ks.uiuc.edu/~johns/
> http://www.ks.uiuc.edu/Research/vmd/
>