Tutorial-l Mailing List

From: leuven (leuven_at_yeah.net)
Date: Thu Apr 08 2010 - 04:09:15 CDT

I tried it in another way:
charmrun ++local +p4 namd2 ubq_ws_eq.conf>ubq_ws_eq.log

The terminal said: killed
and the log file said: execve failed to start process "namd2" with status: -1

my csh is the following:
#NAMD
setenv CONV_RSH ssh
set path=(/soft/namd $path)

I am a new NAMD user and I am doing the "1-2-sphere" excise. I try to run the test using mutiple CPU by following command:

charmrun +p4 namd2 ubq_ws_eq.conf>ubq_ws_eq.log

But the terminal said:

connect to address 127.0.0.1: Connection refused
Trying 127.0.0.1...
connect to address 127.0.0.1: connect to address 127.0.0.1: Connection refused
Trying ::1...
Connection refused
Trying 127.0.0.1...
connect to address 127.0.0.1: Connection refused
Trying ::1...

Someone suggested me to run it by "namd2 +p4 ubq_ws_eq.conf>ubq_ws_eq.log", and I tried. But the terminal said:
To use multiple processors, you must run this program as:
> charmrun +p4 namd2 <args>
or build the net-linux-x86_64-iccstatic-smp version of Charm++.
------------- Processor 0 Exiting: Called CmiAbort ------------
Reason: unexpected call to exit by user program. Must use CkExit, not exit!
Charm++ fatal er! ror:
unexpected call to exit by user program. Must use CkExit, not exit!
Aborted

My NAMD is a precomplied version and it runs on OpenSUSE11.0 X64 OS. could you please give me some advices?
Thank you very much.

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