[molpro-user] Killing Molpro Jobs using SGE

Reuti reuti at staff.uni-marburg.de
Tue Dec 4 11:31:22 GMT 2007


> I have a problem when I run Molpro in several nodes of a cluster. The
> problem is when I try to kill a job.
> If I kill the job, using the qdel command of sge, some processes of
> Molpro remain running. I have seen that molpro create 2 processes, in
> each node, of molprop_2006_1_i4_p4_mpi.exe, one running and another one
> sleep. Then, when I kill the job, the processes running are killed and
> the process which was sleeping starts to run.

this is unusual. For MPICH it's normal to have two processes for each  
started task.

What does the process tree look like on one of these nodes with a running job:

ps -e f -o pid,ppid,pgrp,command

(f w/o -) -- Reuti

> Molpro create 2 processes of molprop_2006_1_i4_p4_mpi.exe in each node,
> is this normal?
> How could I kill a Molpro job?, because Now I have to kill these
> processes using pkill command in each node.
> Regards,
> Javi
> -- 
> +---------------------------------------------------------------+
> Javier Diaz Montes
> PhD Candidate
> Grupo de Quimica Computacional y Computacion de Alto Rendimiento.
> Departamento de Tecnologias y Sistemas de Informacion.
> Escuela Superior de Informatica.
> Universidad de Castilla-La Mancha.
> Paseo de la Universidad, 4; 13071 Ciudad Real; SPAIN
> Tel.: 34-926295300; Ext: 3724
> e-mail: javier.diaz at uclm.es
> +---------------------------------------------------------------+

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