VMD-L Mailing List

From: Dominique Mias-Lucquin (dominique.mias-lucquin_at_loria.fr)
Date: Wed Apr 12 2023 - 08:02:19 CDT

Hello,
I'm trying to use the 1.9.4 version of VMD with python in Ubuntu 18.04.
I encountered several case:

    * vmd194 -python :

Info) VMD for LINUXAMD64, version 1.9.4a55 (October 18, 2021)
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, 40 CPUs, ISA dispatch enabled.
Info) CPU features: SSE2 SSE4.1 AVX AVX2 FMA F16 AVX512F AVX512CD HT
Info) Free system memory: 7183MB (22%)
Info) Creating CUDA device pool and initializing hardware...
Info) Detected 1 available CUDA accelerator::
Info) [0] Quadro P620 4 SM_6.1 1.4 GHz, 2.0GB RAM SP32 KT AE2 ZC
Info) OpenGL renderer: Quadro P620/PCIe/SSE2
Info) Features: STENCIL MSAA(4) 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) Detected 1 available TachyonL/OptiX ray tracing accelerator
Info) Compiling OptiX shaders on 1 target GPU...
Info) Dynamically loaded 3 plugins in directory:
Info) /home/dominique/utils/vmd-1.9.4a55/bin/plugins/LINUXAMD64/molfile
after#0
Info) Starting Python...
Could not find platform independent libraries <prefix>
Could not find platform dependent libraries <exec_prefix>
Consider setting $PYTHONHOME to <prefix>[:<exec_prefix>]
'import site' failed; use -v for traceback
Segmentation fault

    * vmd194 then python: Work, but freeze the display windows until I exit. Nothing I do in python has an effect (molecule loading or drawing)
    * vmd194 then gopython: same as vmd194 -python

Does someone knows what append and how to fix it ?
Thank you very much,
Dominique MIAS-LUCQUIN.