From: Gurunath Katagi (gurukatagi_at_gmail.com)
Date: Mon Jan 09 2012 - 23:42:53 CST
Dear all,
i am trying to run a simulation of solvated protein using NAMD 2.8 version
on IMB cluster ..
The job just starts and terminates immediately. i have pasted the last part
of .log file up to which it has run
Info: ABSOLUTE IMPRECISION IN VDWB TABLE FORCE: 3.10193e-25 AT 9.94673
Info: RELATIVE IMPRECISION IN VDWB TABLE FORCE: 1.07087e-15 AT 9.94673
Info: Startup phase 8 took 0.610009 s, 183.422 MB of memory in use
Info: Startup phase 9 took 0.000552893 s, 187.547 MB of memory in use
Info: Finished startup at 9.32463 s, 187.547 MB of memory in use
and in .error file , i am getting this error:
ATTENTION: 0031-408 4 tasks allocated by LoadLeveler, continuing...
------------- Processor 2 Exiting: Caught Signal ------------
------------- Processor 3 Exiting: Caught Signal ------------
Signal: 4
Signal: 4
ERROR: 0031-250 task 0: Terminated
ERROR: 0031-250 task 2: Terminated
ERROR: 0031-250 task 3: Terminated
ERROR: 0031-250 task 1: Terminated
The machine configuration goes like this :
$uname -a
Linux cnode39 2.6.5-7.244-pseries64 #1 SMP Mon Dec 12 18:32:25 UTC 2005
ppc64 ppc64 ppc64 GNU/Linux
and the submission file is as follows:
#!/bin/sh
# @ error = job1.$(Host).$(Cluster).$(Process).err
# @ output = job1.$(Host).$(Cluster).$(Process).out
# @ class = ptask64
# @ job_type = parallel
# @ total_tasks = 4
# @ blocking = unlimited
# @ wall_clock_limit=01:00:00
# @ queue
/usr/bin/poe
/home/staff/sec/secdpal/gurunath/NAMD_2.8_Source/Linux-POWER-xlC/namd2
'md1.conf' -nodes 16 -tasks_per_node 8
I am not getting why this error is coming ( due to numerical error or
installation or something else) and how to go about
Can anybody please look into this and let me know...
Thank you
Gurunath
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