VMD-L Mailing List

From: John Stone (johns_at_ks.uiuc.edu)
Date: Tue Dec 15 2020 - 11:06:47 CST

Carlos,
  Thanks for the note about that last error during startup, I accidentally
left one of my test scripts in the package. I will rebuild a new package
this morning that removes that line from the default vmd.rc ;-)

Best,
  John

On Tue, Dec 15, 2020 at 10:58:37AM -0500, Carlos Simmerling wrote:
> it works fine for me on windows 10 with 1070 TI and Nvidia driver 445.87
> I also noticed that even though I told it where to install, it ignored
> that and installed to C:\Program Files\VMD anyway.
> I do get an error on startup for a hardcoded path:
> Info) VMD for WIN64, version 1.9.4a50 (December 14, 2020)
> 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) Â Â Humphrey, W., Dalke, A. and Schulten, K., `VMD - Visual
> Info) Â Â Molecular Dynamics', J. Molec. Graphics 1996, 14.1, 33-38.
> Info) -------------------------------------------------------------
> Info) Multithreading available, 8 CPUs detected.
> Info) Â CPU features: SSE2 SSE4.1 AVX AVX2 FMA F16 HT
> Info) Free system memory: 3371MB (20%)
> 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 1070 Ti/PCIe/SSE2
> Info) Â Features: STENCIL MDE CVA MTX NPOT PP PS GLSL(OVFGS)
> Info) Â Full GLSL rendering mode is available.
> Info) Â 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...
> Info) Dynamically loaded 76 plugins in directory:
> Info) C:/Program Files/VMD/plugins/WIN64/molfile
> Error) Plugin directory
> 'c:/users/johns/Desktop/build/plugins/compile/lib_WIN64/molfile'
> does not exist!
> thanks John!
> On Tue, Dec 15, 2020 at 10:48 AM Stefan Boresch
> <[3]stefan_at_mdy.univie.ac.at> wrote:
>
> 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) [4]http://www.ks.uiuc.edu/Research/vmd/
> Info) Email questions and bug reports to [5]vmd_at_ks.uiuc.edu
> Info) Please include this reference in published work using VMD:
> Info)Â Â Humphrey, W., Dalke, A. and Schulten, K., `VMD - Visual
> Info)Â Â Molecular Dynamics', J. Molec. Graphics 1996, 14.1, 33-38.
> Info) -------------------------------------------------------------
> Info) Multithreading available, 8 CPUs detected.
> Info)Â Â CPU features: SSE2 SSE4.1 AVX AVX2 FMA F16 AVX512F AVX512CD HT
> Info)Â Â 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)Â Â Features: STENCIL MDE CVA MTX NPOT PP PS GLSL(OVFGS)
> Info)Â Â Full GLSL rendering mode is available.
> Info)Â Â 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.Â
> 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,
> >Â Â 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
> > 4456bed34eb381952ac465e61a121ed0Â vmd194a50win64-Setup.exe
> >
> > Best,
> >Â Â John Stone
> >Â Â [6]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
> > > SHA256Â Â Â Â Â
> 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,
> > > >Â Â 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:
> > > >Â Â [7]https://www.ks.uiuc.edu/Research/vmd/alpha/
> > > >
> > > > Best regards,
> > > >Â Â John Stone
> > > >Â Â [8]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
> > > > [9]http://www.ks.uiuc.edu/~johns/Â Â Â Â Â Â Phone:
> 217-244-3349
> > > > [10]http://www.ks.uiuc.edu/Research/vmd/Â Â Â
> > > >
> >
> > --
> > NIH Center for Macromolecular Modeling and Bioinformatics
> > Beckman Institute for Advanced Science and Technology
> > University of Illinois, 405 N. Mathews Ave, Urbana, IL 61801
> > [11]http://www.ks.uiuc.edu/~johns/Â Â Â Â Â Â Phone: 217-244-3349
> > [12]http://www.ks.uiuc.edu/Research/vmd/Â Â Â
>
> References
>
> Visible links
> 1. http://www.ks.uiuc.edu/Research/vmd/
> 2. mailto:vmd_at_ks.uiuc.edu
> 3. mailto:stefan_at_mdy.univie.ac.at
> 4. http://www.ks.uiuc.edu/Research/vmd/
> 5. mailto:vmd_at_ks.uiuc.edu
> 6. mailto:vmd_at_ks.uiuc.edu
> 7. https://www.ks.uiuc.edu/Research/vmd/alpha/
> 8. mailto:vmd_at_ks.uiuc.edu
> 9. http://www.ks.uiuc.edu/~johns/
> 10. http://www.ks.uiuc.edu/Research/vmd/
> 11. http://www.ks.uiuc.edu/~johns/
> 12. 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/