Hello,<div><br></div><div>       I am attempting to run MODELLER in parallel on a cluster with multiple nodes. The script I used is below:</div><div><br></div><div><div>from modeller import *</div><div>from modeller.parallel import *</div>
<div>from modeller.automodel import *</div><div><br></div><div>log.verbose()</div><div>j = sge_pe_job()</div><div>env = environ()</div><div>a = automodel(env, alnfile=&#39;2NT2-mult.ali&#39;,</div><div>              knowns=(&#39;1m3gA&#39;,&#39;2wgpA&#39;,&#39;2hxpA&#39;), sequence=&#39;2NT2&#39;,</div>
<div>              assess_methods=(assess.DOPE, assess.GA341))</div><div>a.starting_model = 1</div><div>a.ending_model = 25</div><div>a.use_parallel_job(j)</div><div>a.make()</div></div><div><br></div><div>However, once I submit the job (using the parallel environment mpich), the job runs on the master node fine but fails on all the slave nodes. The error is also ambiguous:</div>
<div><br></div><div>within the slave1 output file (identical for all other output files except the slave0 one which runs fine):</div><div>error: executing task of job 76003 failed:</div><div><br></div><div>Thanks in advance for the help!</div>
<div><br></div><div>-Charles Xue</div><div><br></div>