[CPMD-list] SOFT EXIT REQUEST

[Axel Kohlmeyer]

On Thu, 26 Aug 2004, Griselda Garcia wrote:

GG> Hello all!!

hi!

GG> 
GG> Does any one of you seen the following message during CPMD calculation?
GG> 
GG>  ****************************************************************
GG>  *                                                              *
GG>  *             CPMD RECEIVED THE SOFT EXIT REQUEST              *
GG>  *      THE COMMAND WAS ISSUED AT Thu Aug 26 00:12:10 2004      *
GG>  *                                                              *
GG>  ****************************************************************

yep. i've seen it a lot ;-). this usually happens when you ask cpmd
to do a graceful exit (including writing a restart file!) by
creating a file named 'EXIT' in the working directory. 

it can also happen when your process catches a SIGXCPU, SIGPWR, SIGHUP, 
SIGUSR1, or SIGUSR2 signal (depending on your architecture not all of 
them). this is usually happens, when your queueing system tells your 
process that your alotted cpu time has expired. this is usually a good 
thing. best you contact your system administrator about this.

if you want to avoid it at all costs, you can delete or comment out
the code in lines 80-100 in the file cpmd.F. 

regards,
	axel kohlmeyer.

GG> 
GG> I am doing a MD running using the attached input file on a system with 72 
GG> atoms. 
GG> The complete output that I am getting is also attached to this mail.
GG> 
GG> I do not know what is it meaning of that message or how to get rid of it and 
GG> I could not find that on the mailing list.
GG> 
GG> The system I use is a PC cluster (RedHat 9, ifc 7.1, MPI 8.0) and the 
                                                         ^^^^^ which mpi??

GG> parallel version of CPMD.
GG> 
GG> Thanks in advance.
GG> 
GG> Griselda Garcia
GG> Pontificia Universidad Catolica de Chile
GG> Santiago - Chile

-- 


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Dr. Axel Kohlmeyer                        e-mail: axel.kohlmeyer at rub.de
Lehrstuhl fuer Theoretische Chemie          Phone: ++49 (0)234/32-26673
Ruhr-Universitaet Bochum - NC 03/53         Fax:   ++49 (0)234/32-14045
D-44780 Bochum  http://www.theochem.ruhr-uni-bochum.de/~axel.kohlmeyer/
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