VMD-L Mailing List

From: Stefan Boresch (stefan_at_mdy.univie.ac.at)
Date: Tue Dec 15 2020 - 13:24:22 CST

John,

thank you again. I just installed V2. The OspRay issue
is still there, but the workaround with the environment variable works.

[Could the OspRay error indicate that (in the library) some CPU
instructions are used, which for some reason this particular CPU
doesn't suppport (Intel(R) Core(TM) i7-1065G7 CPU)?]

The Optix shader works (as does Quicksurf (which spits out some CUDA
warnings), so I actually assume that NVIDIA/CUDA *does* work, contrary
to the startup message.

For the record, quicksurf gives me the following:

CUDA Thrust sort_by_key() failed: C:/Users/johns/Desktop/build/vmd/src/CUDASort.cu line 190
dev_radix_sort_by_key() failed: C:/Users/johns/Desktop/build/vmd/src/CUDASpatialSearch.cu line 259

(But I believe I have seen this warning on Linux platforms, too..)

What is new is that SURF doesn't work, the error is:

ERROR) Cannot read SURF output file: C:\Users\stefa\AppData\Local\Temp\vmdsurf.u0.41.in.tri

The directory exists, and I (user = stefa) can write/read from it, so this
looks a bit strange.

I cannot thank you enough for your efforts and persistence!

Best regards,
Stefan

On Tue, Dec 15, 2020 at 12:06:50PM -0600, John Stone wrote:
> Hi guys,
> I've assembled a new 64-bit Windows installer that corrects
> two of the prior issues you reported, and I've posted it with a
> newer "V2" suffix:
> http://www.ks.uiuc.edu/Research/vmd/alpha/
>
> The new test build corrects the two issues below:
> 1) VMD plugin loading and startup scripts are up-to-date
> 2) default vmd.rc file no longer has a stray debug/testing command in it
>
> The mismatched installation target directory in the installer GUI
> remains for the time being.
>
> Stefan: I discussed the OSPRay startup issue with the OSPRay developers
> and I will try and add some workaround code in VMD to make it
> continue startup even in the case that OSPRay modules fail to load.
>
> Jerome: The behavior of file/path names with internationalized strings
> data will need to be dealt with in a future build.
>
> I noted that you're all getting bogus CUDA driver warnings on systems
> that don't contain NVIDIA GPU hardware, so I'll have to revisit that
> code as well.
>
> Barring further installer/packaging corrections further
> improvements will have to come in a later alpha version
> since they'll require code changes.
>
> 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/
>