Hi,
you need add the location of mpiexec to your PATH variable. Do
find / -name mpiexec
(disregard the warnings) and add the exact path this gives you to your
export PATH line. Alternatively, check back with your sysadmin on how to
send batch jobs to your cluster.
However, you will invariably run into more problems on the way. I would
suggest working through some Linux tutorials (either on the web, via a
good book or for the hardcore experience, just type 'man bash') before
attempting a full molecular simulation project.
Kind Regards,
Thomas
Dr. Thomas Steinbrecher
BioMaps Institute
Rutgers University
610 Taylor Rd.
Piscataway, NJ 08854
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Received on Thu Jan 07 2010 - 06:30:06 PST
