Hi Kevin:

Kevin M. Carr wrote:
> Fellow mpiBLAST users,
> 
> I have found the performance of mpiBLAST v. 1.4.0 to be a bit disappointing
> compared to previous versions.  It is entirely possible that I am doing
> something wrong so I want to elicit any suggestions you might have.
> 
> Background
> 
> Cluster: 40 cpus, 96 GB ram aggregate.
> Master = 4 x dual core opteron, 32 GB ram, Fedora Core 5
> Nodes(8) = 2 x dual core opteron, 8 GB ram, Fedora Core 5
> Gigabit Enet interconnect.
> 
> mpiBLAST:
> I have tried two variations of mpiBLAST 1.4.0:
> 
> 1.  Compiled myself from source using the May 2005 (2.2.11) ncbi toolkit and
> MPICH2.
> 
> 2.  RPMs from Joe Landman at Scalable Informatics (Oct 2004 ncbi, LAM-MPI
> 7.1.1).
> 
> The problem occurs with either of these installations so it doesn't appear
> to be something peculiar about a particular build.

Ok

> 
> The Data:
> 
> A set of ESTs and consensus sequences built from contiged ESTs.
> 28,485 sequences, total query length ~26 million bases.

Ok.  If you can share this, I can run this (or a portion of it) on our
internal cluster against nr (blastx I presume?).

> 
> Databases:
> 
> Either NCBI nr (or RefSeq Protein complete) divided into 38 segments by
> mpiformatdb.

Hmmm...  Why 38?  If you split nr that small, you might be running out
of work for the nodes to do.  Assuming nr around 2GB in size, 1/38th of
nr may be about 50 MB or so.  I see good performance for nt, then again,
we have a small cluster here.

> 
> Command line:
> 
> mpirun -np 40 mpiblast -p blastx -d nr -i my.data.fasta -U -f 14 -I T -e 1
> -v 25 -b 25 -o my.blast.output &

-e 1 ?

> The Problem:
> 
> Everything starts out fine, the cluster is humming along with all cpus
> nearly pegged, then, about a half hour into the run the cpu utilization
> drops through the floor.  The job(s) continue to run but they spend more

Hmmm... Could you do an strace against the head node process and see if
it is doing system calls or crunching?

> time idling than actually searching.  Running top on the head node I find on
> mpiBLAST job (presumably the writer process since it has the lowest pid)
> stays at ~100% cpu all the time but the remaining processes idle most of the
> time and then show brief bursts of activity.  The same behavior is seen on
> the worker nodes (of course there is no continuously active writer process
> on the nodes.)
> 
> While initially the Average Load for the entire cluster is >95%, it then
> drops to < 20% for the remainder of the run.  At some points the load is
> only 1-2%. It is really quite depressing looking at my Ganglia page and
> seeing all of those wasted cycles.
> 
> Problem is most pronounced with large datasets.  When the dataset is <= 3000
> sequences I don't see it.  Of course the job is done in < 30 minutes which
> is about the time I start to see the drop in cpu utilization on the larger
> jobs.

Hmmmm.....  I wonder if you are running out of memory pages for shmem
arenas.

What does

        sysctl -a | grep kernel.shm

report?

and what does

        limit

if you are tcsh/csh inclined or

        ulimit -a

if you are bash/sh inclined report?

> 
> I have search the mailing list archives and have not found anything which
> resembles this problem.  Have other people seen this behavior with version
> 1.4.0?  Any insights from the developers?

This sounds like either the workers finish way ahead of the other
thread, and are basically spinning.  Could you run dstat or atop and
tell us what your IO rate looks like?  Are you IO bottlenecked (e.g. is
it writing to a /tmp which is a single spindle, or worse, an NFS mounted
disk, ...)  If you have the pid for the writer thread, what does
        
        lsof -p pid

tell you in terms of files it is writing?

Joe

> 
> Thanks in advance for any and all input.
>  
> Kevin M. Carr
> 
> **************************
> Bioinformatics Specialist
> Research Technology
>   Support Facility
> 202-D Biochemistry Bldg.
> Michigan State University
> East Lansing, MI  48824
> 
> Ph: (517) 353-6794
> Fax:(517) 353-8638
> **************************
> 
> 
> 
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-- 
Joseph Landman, Ph.D
Founder and CEO
Scalable Informatics LLC,
email: [EMAIL PROTECTED]
web  : http://www.scalableinformatics.com
phone: +1 734 786 8423
fax  : +1 734 786 8452 or +1 866 888 3112
cell : +1 734 612 4615

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