From: Norman Geist (
Date: Mon Jun 23 2014 - 03:29:50 CDT

Try adding a sleep between the VMD openings. Maybe there’s going something wrong while starting multiple VMDs simultaneously.


Norman Geist.


Von: [] Im Auftrag von Jim
Gesendet: Samstag, 21. Juni 2014 18:09
Betreff: vmd-l: Cannot start VMD in background from a script


I want to start multiple VMD processes in background from within a bash script, e.g.:




for f in $files; do


     vmd -dispdev text -e script.tcl -args $pdbf $trajf $atomids $f out-$f > vmdout-$f 2>&1 &






but it does not work. I'm usually getting an error like this (not consistently):



Info) Multithreading available, 32 CPUs detected.

Info) Free system memory: 114631MB (88%)

Info) Creating CUDA device pool and initializing hardware...

CUDA error: invalid device symbol, line 62

Info) Detected 1 available CUDA accelerator:

Info) [0] Tesla K20m 13 SM_3.5 @ 0.71 GHz, 4.7GB RAM, OIO, ZCP

ERROR) Tcl startup error:

Info) Dynamically loaded 2 plugins in directory:

Info) /home/jim/mymodules/VMD/1.9.1/lib/vmd/plugins/LINUXAMD64/molfile

ERROR) Could not read the vmd initialization file -

ERROR) source {/home/jim/mymodules/VMD/1.9.1/lib/vmd/scripts/vmd/vmdinit.tcl}

ERROR) can't find package http 2.4

ERROR) The VMDDIR environment variable is set by the startup

ERROR) script and should point to the top of the VMD hierarchy.

ERROR) VMD will continue with limited functionality.

Info) VMD for LINUXAMD64, version 1.9.1 (February 1, 2012)

Info) Exiting normally.



When I remove the "&", it works (in serial though).

If I run this loop with the "&" directly in the terminal, it also works.


I cannot figure out what is wrong.







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