REMD with IBM SP6 LoadLeveler

From: Luca Bellucci (lcbllcc_at_gmail.com)
Date: Sat Jan 22 2011 - 11:45:31 CST

Dear all,
I am trying to set up REMD simulation with the tcl scripts come with
NAMD_2.7_AIX-POWER on IBM SP Power 6 with LoadLeveler (LL) as queuing system.
I am able to run example of alanine (fold_alanin.conf) with LL, however
the problem is that each replica is only run in serial.
I tried to modify spawn_namd.tcl file, but it seems that there is not
a "simple solution" with LL queuing system.
Moreover I have not found much documentation on this topic.

How can I resolve this issue?

Thanks,
Luca

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