If using OpenMPI compiled with NUMA locking support (likely default), MPI processes get bound to assigned cores automatically. This is to prevent context switches and cache misses. If you are invoking via `mpirun` I believe the correct flag is `mpirun —bind none`… or you can let MPI know that each process is going to use more than a single thread using —map-by or some other flag.
> On Apr 28, 2016, at 12:06 PM, Sjors Scheres <[log in to unmask]> wrote:
>
> One more thing: you could give the program A LOT to calculate for each
> particle, just as a test whether it's access to the images that is somehow
> a bottle neck. You could do this by increasing the angular sampling
> 4-fold.
> HTH,
> S
>> Hi Sjors,
>>
>> I agree I am being hampered by somethings. My workstation has dual 10-
>> core Xeon processors which with hyperthreading should give me a total
>> of 40 threads. Additionally it has 128GB of ram and a 8 harddrive raid
>> 5 array giving over 1GB/s throughput, which according to 'top' isn't
>> being taxed at all.
>>
>> An interesting observation is that when I use relion_refine, I have no
>> problems of it running more than 2 threads (4, 8, 16, etc. verified
>> using 'top'). However when I use the relion_refine_mpi, I am stuck at 2
>> threads per mpi process.
>>
>> Some additional info:
>> 1) I have seen this issue on two different systems running Centos7 and
>> Fedora 23 with 20 and 4 cores respectively.
>> 2) I have see issue with my own compiled version of relion 1.4 and
>> SBGrid.org's compiled version.
>> 3) I suspect this might be a reason the program is not scaling as well
>> as we would like on our cluster, a Cray XE6 system.
>>
>> Cheers,
>> Bharat Reddy
>> Post Doc
>> University of Chicago
>>
>>
>> On Thu, 2016-04-28 at 10:10 +0100, Sjors Scheres wrote:
>>> Hi again,
>>> The program is actually using 4 threads (as from the stdout). The
>>> fact
>>> top runs at 200% means that your threads are hampered by something
>>> else.
>>> This could for example be the reading of particles from the hard
>>> disk,
>>> which can become a bottle neck. Also: how many cores does
>>> nsit-dhcp-148-090.bsd.uchicago.edu have? You're running 4 MPI
>>> slaves,
>>> each with 4 threads on it. The master also takes 1 core. Therefore,
>>> your
>>> machine should have 17 cores to do everything you ask for. If it has
>>> fewer cores, then they'll just be in each others way.
>>> HTH,
>>> Sjors
>>>
>>> On 04/27/2016 08:18 PM, Baru Reddy wrote:
>>>>
>>>> Hi Sjors,
>>>> 'top' says each mpi process is running at ~200%. This is the
>>>> criteria by which I say it is only using 2 threads is based on the
>>>> ~200%. The command I use and initial output I get is shown below.
>>>>
>>>> mpirun -n 5 ~/Downloads/relion-1.4/bin/relion_refine_mpi --o
>>>> Class3D/run1_ct5 --continue Class3D/run1_it005_optimiser.star --
>>>> iter 25 --tau2_fudge 4 --solvent_mask proteasome_mask_150.mrc --
>>>> oversampling 1 --healpix_order 3 --offset_range 5 --offset_step 2
>>>> --j 4 &
>>>>
>>>> [reddybg@nsit-dhcp-148-090 gauto]$ === RELION MPI setup ===
>>>> + Number of MPI processes = 5
>>>> + Number of threads per MPI process = 4
>>>> + Total number of threads therefore = 20
>>>> + Master (0) runs on host =
>>> nsit-dhcp-148-
>>>> 090.bsd.uchicago.edu
>>>> + Slave 1 runs on host =
>>> nsit-dhcp-148-
>>>> 090.bsd.uchicago.edu
>>>> + Slave 2 runs on host =
>>> nsit-dhcp-148-
>>>> 090.bsd.uchicago.edu
>>>> + Slave 3 runs on host =
>>> nsit-dhcp-148-
>>>> 090.bsd.uchicago.edu
>>>> + Slave 4 runs on host =
>>> nsit-dhcp-148-
>>>> 090.bsd.uchicago.edu
>>>>
>>>> Cheers,Bharat ReddyPost DocUniversity of Chicago
>>>>
>>>> From: Sjors Scheres <[log in to unmask]>
>>>> To: Baru Reddy <[log in to unmask]>
>>>> Cc: [log in to unmask]
>>>> Sent: Wednesday, April 27, 2016 2:08 PM
>>>> Subject: Re: [ccpem] Stuck at 2 Threads per MPI Process
>>>>
>>>> Hi Bharat,
>>>> --j N should always launch N threads. You'll only see them as 1
>>>> process in
>>>> 'top', but it may run up to ~N00%. Why do you say relion launches
>>>> only 2
>>>> threads? How do you see this? Does it say so in the stdout?
>>>> S
>>>>
>>>>>
>>>>> Hi Everyone,
>>>>> Currently we are trying to mobilize the power of threads as our
>>>>> refinements have become more memory intensive and we have hit a
>>>>> limit with
>>>>> the number of MPI processes we can deploy. The problem is that
>>>>> however
>>>>> many threads I tell relion_refine_mpi to use (-j X where X is
>>>>> 4,8,16,etc.), it only uses two threads. Is there a setting I am
>>>>> missing, a
>>>>> variable I am failing to define, or is this a limit of
>>>>> relion_refine_mpi .
>>>>> Cheers,Bharat ReddyPost DocUniversity of Chicago
>>
>
>
> --
> Sjors Scheres
> MRC Laboratory of Molecular Biology
> Francis Crick Avenue, Cambridge Biomedical Campus
> Cambridge CB2 0QH, U.K.
> tel: +44 (0)1223 267061
> http://www2.mrc-lmb.cam.ac.uk/groups/scheres
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