You might have a look at the "WIEN2k-notes of the University of Texas"
document (slide 7) at:
http://susi.theochem.tuwien.ac.at/reg_user/faq/pbs.html
The line:
echo -n 'lapw0:' > .machines
It looks like that writes to the .machines file:
lapw0:
However, you need to have it write the
Hi Gavin Abo,
It looks I am facing the same problem.
##
#!/bin/bash
#PBS -N wien2k
#PBS -o out.log
#PBS -j oe
#PBS -l nodes=1:ppn=1
# Load Intel environment
source
/apps/intel_2016_u2/compilers_and_libraries_2016.2.181/linux/bin/compilervars.sh
intel64
export
It look like something is wrong with this line [
https://stackoverflow.com/questions/26816605/awk-fatal-cannot-open-file-for-reading-no-such-file-or-directory
]:
awk '{print "1:"$1":1"}' $PBS_NODEFILE >>.machines
Maybe quotes are needed around the $PBS_NODEFILE:
awk '{print "1:"$1":1"}'
Hi Gavin Abo,
I change my job script as follows:
#
#!/bin/bash
#PBS -N wien2k
#PBS -o out.log
#PBS -j oe
#PBS -l nodes=1:ppn=1
# Load Intel environment
source
/apps/intel_2016_u2/compilers_and_libraries_2016.2.181/linux/bin/compilervars.sh
intel64
cd
Does lapw0 exist in your WIEN2k directory (/home/sjana/WIEN2k_14.2)?
Maybe #PBS -V is needed [
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg15985.html
].
On 9/8/2017 1:42 AM, Subrata Jana wrote:
Dear All,
I am trying to run WIEN2k parallel. My shell script is looking
Dear All,
I am trying to run WIEN2k parallel. My shell script is looking like this.
However, in the out.log file it is showing
--
lapw0: Command not found.
> stop error
---
please help.
###
Thank all for helping to tackle this problem. Actually, my system
administrator seems to have done something which makes my life much easier.
Now, everything is done automatically. When the job is killed, I will get
the following.
.machine0 : 80 processors
Child id 1 Process
Dear Laurence,
your last lines are exactly what we need !
Thank you for this.
set remote = /bin/csh $WIENROOT/pbsh
$WIENROOT/pbsh is just
mpirun -x LD_LIBRARY_PATH -x PATH -np 1 --host $1 /bin/csh -c $2
I will try but I pretty sure that it will work fine.
Regards
Florent
Le 05/01/2012
Dear Yundi,
this is a known limitation of ssh and rsh that does not pass the interrupt
signal to the remote host.
Under LSF I had in the past a solution. It was a specific rshlsf for doing this.
Actually I use either SGE or PBS on two different cluster and the problem
exists.
You will see that
I've never done this myself, but as far as I know one can define a
prolog script in all those queuing systems and this prolog script
should ssh to all assigned nodes and kill all remaining jobs of this user.
Am 05.01.2012 10:17, schrieb Florent Boucher:
Dear Yundi,
this is a known limitation
As Florent said, this is a known issue with some (not all) versions of
ssh, and it is also a torque bug. What you have to do is use mpirun
instead of ssh to launch jobs which I think you can do by setting the
MPI_REMOTE/USE_REMOTE switches. I think I posted how to do this some
time ago, so please
It is NOT true that queuing systems cannot do the WIEN2k style.
We have two big clusters and run on them all three types of jobs,
i) only ssh (k-parallel), ii) only mpi-parallel (no mpi) and also
of mixed type.
And of course the administrators configured the sun grid engine so that it
makes sure
I gave a slightly jetlagged response -- for certain WIEN2k style works
fine with all queuing systems.
But...it may not fit how the queuing system has been designed and
admins may not be accomodating. My understanding (second hand) is that
torque is designed to work well with openmpi for
I'm working on a cluster using torque queue system. I can directly ssh to
any nodes without using password. When I use qdel( or canceljob) jobid to
terminate a running job, the job will be terminated in the queue system.
However, when I ssh to the nodes, the job are still running. Does anyone
know
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