VMD-L Mailing List

From: Chang, Christopher (Christopher.Chang_at_nrel.gov)
Date: Tue Nov 17 2020 - 10:18:07 CST

We've seen similar messages on our Linux cluster when trying to use a CUDA 11 environment exposed via modules against our hardware which is currently deployed with CUDA 10.2.

Not sure how to find information on Windows, but for me on Linux nvidia-smi shows the driver version, nvcc shows the SDK version.

[cchang_at_r105u35 ~]$ ml cuda/11.0.2
[cchang_at_r105u35 ~]$ nvidia-smi
Tue Nov 17 09:12:08 2020
+-----------------------------------------------------------------------------+
| NVIDIA-SMI 440.33.01 Driver Version: 440.33.01 CUDA Version: 10.2 |
|-------------------------------+----------------------+----------------------+
..

[cchang_at_r105u35 ~]$ nvcc --version
nvcc: NVIDIA (R) Cuda compiler driver
Copyright (c) 2005-2020 NVIDIA Corporation
Built on Thu_Jun_11_22:26:38_PDT_2020
Cuda compilation tools, release 11.0, V11.0.194
Build cuda_11.0_bu.TC445_37.28540450_0

If your user had tried installing a more recent CUDA SDK version without upgrading the drivers, could see that might create the problem.

Chris

On 11/17/20, 4:27 AM, "owner-vmd-l_at_ks.uiuc.edu on behalf of Stefan Boresch" <owner-vmd-l_at_ks.uiuc.edu on behalf of stefan_at_mdy.univie.ac.at> wrote:

    Hi,

    on the odd chance that someone has an idea:

    I am presently running a course in which I use VMD a bit, and students are
    expected to install it on their own hardware. This has worked well so
    far, on Linux, Mac and Windows, with here in Europe Win10 being the
    dominating OS.

    Yesterday I got a 'plea for help' from one student saying
    that suddently VMD is not starting up anymore on her Win10 laptop, though
    it worked before. I got some screenshots; the terminal window comes
    up, prints

      "mismatch between CUDA runtime and GPU driver"

    and terminates. Restarting the machine, reinstalling VMD (both 1.9.3 and
    the new 1.9.4alpha) apparently has not helped. Since this isn't my
    hardware and since I don't have access to it because of the lockdown, this
    is all the info I have.

    I normally run VMD on my Linux workstation, though I also have it on a Win10
    laptop, with an NVIDIA card and all updates installed, where both vmd 1.9.3
    and 1.9.4alpha run fine.

    The one observation I can add from my own experience is that for me (on the
    Win10/Nvidia laptop) VMD comes up, but hangs for a while (the main menu
    is not operational, up to minutes). Hitting Enter or Ctrl-C in the terminal
    window usually helps.

    Any hints / suggestions to pass on welome, best regards,

    Stefan