VMD-L Mailing List

From: Stefan Boresch (stefan_at_mdy.univie.ac.at)
Date: Tue Dec 15 2020 - 09:33:50 CST

Hi John,

install works fine now, but no joy running ... (transscript when starting
it directly via powershell, same error flashes by when double clicking on
the icon):

unit7 $ & 'C:\Program Files\VMD\vmd.exe'
Info) VMD for WIN64, version 1.9.4a50 (December 14, 2020)
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, 8 CPUs detected.
Info) CPU features: SSE2 SSE4.1 AVX AVX2 FMA F16 AVX512F AVX512CD HT
Info) Detected VM or hypervisor execution environment
Info) Free system memory: 19GB (58%)
Warning) Detected a mismatch between CUDA runtime and GPU driver
Warning) Check to make sure that GPU drivers are up to date.
Info) No CUDA accelerator devices available.
Info) OpenGL renderer: GeForce GTX 1650 with Max-Q Design/PCIe/SSE2
Info) Features: STENCIL MDE CVA MTX NPOT PP PS GLSL(OVFGS)
Info) Full GLSL rendering mode is available.
Info) Textures: 2-D (32768x32768), 3-D (16384x16384x16384), Multitexture (4)
Info) No joysticks found. Joystick interface disabled.
Info) Detected 1 available TachyonL/OptiX ray tracing accelerator
Info) Compiling OptiX shaders on 1 target GPU...
#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 21028)

This is a Surface Book 3 (with as you see GTX 1650). It is fully up to
date with all Updates Microsoft seems fit to provide me with in the
release channel. I never installed an NVIDIA driver by hand, nor do I
know which version I am on. (As far as Windows is concerned, I am
more or less a rookie). And, yes, also true, Hyper-V is activated as I
need/use it.

Thanks, best regards,

Stefan

PS: BTW, the installer claims to install in \Program Files (x86)\vmd, but
installs (as it should) to \Program Files\vmd

On Tue, Dec 15, 2020 at 09:17:09AM -0600, John Stone wrote:
> Stefan,
> It seems that when I uploaded the file yesterday it got
> truncated somehow. It is re-uploaded, and I have double-checked
> that it made it okay. The MD5 hash of the file is:
>
> % md5sum vmd194a50win64-Setup.exe
> 4456bed34eb381952ac465e61a121ed0 vmd194a50win64-Setup.exe
>
> Best,
> John Stone
> vmd_at_ks.uiuc.edu
>
> On Tue, Dec 15, 2020 at 11:11:28AM +0100, Stefan Boresch wrote:
> > Hi John,
> >
> > wanted to give this a try, but I get an 'Installer integrity check error'
> > when trying to install (after waiving away all Windows warnings regarding
> > 'unknown publisher' etc)
> >
> > My download is 21.144kb, the output of get-filehash is
> > SHA256 7116AB20B65FA0EC38FF89B452B6C02A3FCFD200E82231BA472386E99610E519
> >
> > Should this be right, or did something get garbled upon upload?
> >
> > I REALLY appreciate your effort to provide an up2date Windows executable
> > and I look forward to testing this -- thank you!!
> >
> > Best,
> >
> > Stefan
> >
> > On Mon, Dec 14, 2020 at 11:46:50PM -0600, John Stone wrote:
> > > Hi,
> > > I've just posted a new 64-bit test build of VMD for Windows.
> > > The new VMD build includes the collective variables module,
> > > CUDA GPU acceleration, OptiX interactive GPU ray tracing,
> > > and OSPRay interactive CPU-based ray tracing. I've added the
> > > new test builds to the same alpha page with the new
> > > 64-bit MacOS builds:
> > > https://www.ks.uiuc.edu/Research/vmd/alpha/
> > >
> > > Best regards,
> > > John Stone
> > > vmd_at_ks.uiuc.edu
> > >
> > > --
> > > 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/ Phone: 217-244-3349
> > > http://www.ks.uiuc.edu/Research/vmd/
> > >
>
> --
> 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/ Phone: 217-244-3349
> http://www.ks.uiuc.edu/Research/vmd/