[27763] in Athena Bugs

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Re: Debathena: orca-chem

daemon@ATHENA.MIT.EDU (Cam Fox)
Mon Mar 2 21:35:21 2020

From: Cam Fox <cfox@mit.edu>
To: bugs <bugs@mit.edu>
Date: Tue, 3 Mar 2020 02:35:12 +0000
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I moved this to a service desk ticket: INC0375078

> On Mar 2, 2020, at 6:35 PM, gilhula@mit.edu wrote:
> 
> System name:		ten-thousand-dollar-bill
> Type:			x86_64
> Display type:		VMware SVGA II Adapter
> 
> Shell:			/bin/athena/bash 
> Window manager:		unknown
> Desktop session:	unknown
> 
> 1) What were you trying to do?
> Use ORCAi with 4 processors  to generate NBO files.
> 
> 2) What happened?
> Job failed and produced many errors when using %pals nprocs 4 end in the .inp file. Could only get job to run using 1 processor which is very slow. After partial completion of ORCA job, received error:
> NBRECVM: error reading from socket: Connection reset by peer
> 
> 3) What should have happened?
> ORCA should have run using 4 processors and should have produced NBO files, especially FILE.47
> 
> 4) Does this problem happen only on this workstation, or other workstations?
> Other workstations do not work either
> 
> 5) If you were following instructions, please include the URL or a
>   description of the documentation:(e.g. a "problem set for 18.03" or http://ist.mit.edu)
> web-cert.mit.edu/orca-chem_v4.0/README.athena
> 



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