VMD-L Mailing List

From: CPMAS Chen (cpmasmit_at_gmail.com)
Date: Thu Jun 11 2015 - 14:34:51 CDT

Hello:

I am following the tutorial to set up xMDFF work. when I submitted my job
to our cluster, it reported error. The message is like this:

TCL: /opt/local/lib/vmd/vmd_LINUXAMD64: error while loading shared
libraries: libGLU.so.1: cannot open shared object file: No such file or
directory
FATAL ERROR: /opt/local/lib/vmd/vmd_LINUXAMD64: error while loading shared
libraries: libGLU.so.1: cannot open shared object file: No such file or
directory

I have the log and namd file attached, could you guys give me some
suggestions?

1. I am bugging the cluster administer to to see if this is setup/software
issues. but VMD/NAMD works just fine in all other jobs.
2. I changed 'vmd' in the .namd file to '/opt/local/bin/vmd' to specify the
location of vmd executable. and it reported the above error message.
3. I tried alias vmd="/opt/local/bin/vmd", so I can use the namd file
without anything changed. it will report error like this:

TCL: couldn't execute "vmd": no such file or directory

FATAL ERROR: couldn't execute "vmd": no such file or directory

    while executing

"exec vmd -dispdev text -e xmdff_phenix.tcl -args $PSFFILE $PDBFILE
$GRIDFILE $REFS $BFS $MASK $CRYSTPDB $MASKRES $MASKC

UTOFF > map.log"

Thanks!

Charles 

-- 
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Charles Chen
Research Associate
University of Pittsburgh School of Medicine
Department of Anesthesiology
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