[Xplor-nih] parallel marvin

[Charles at Schwieters.org]

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Hello David--

> I'm trying to run Marvin an a 16-dual processor cluster and am getting
> connect failures.   
> I'm using:
> 
> xplor -parallel -machines ./machine_name_file -pport 22 -tcl sa_pass2.tcl > sa_pass2.tcl.out
> 

don't use port 22 for this- ssh uses this. Use a number larger than 1024
for this.

> but still getting:
> 
> connect attempt #28 to c1:22...
> connection fault: (-2, 'Name or service not known')
> 
> messages.  I can ssh c1 -p 22 without problem, and namd2 distributes fine.  Is there something else I need to set for -pport (or -port, for that matter)?
> 

The failure is not from ssh, but rather from Xplor-NIH itself. Perhaps
dns isn't running on the compute nodes? 

> If I have a reasonable homology model, can I use it to start with?
> How do I do this? 
> 

You might use this structure to help generate initial likelihoods. John
can help more with this.

best regards--
Charles
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