Discussion:
[bug #25084] Running Model_Free on multi processors Fedora 20 complications
sam
2016-09-19 17:38:49 UTC
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URL:
<http://gna.org/bugs/?25084>

Summary: Running Model_Free on multi processors Fedora 20
complications
Project: relax
Submitted by: sam
Submitted on: Mon 19 Sep 2016 05:38:48 PM UTC
Category: None
Specific analysis category: Model-free analysis
Priority: 5 - Normal
Severity: 3 - Normal
Status: None
Assigned to: None
Originator Name:
Originator Email:
Open/Closed: Open
Release: 4.0.2
Discussion Lock: Any
Operating System: 64-bit GNU/Linux

_______________________________________________________

Details:

I have come across a problem running relax on a multi-processor platform for
my Fedora 20 system. I have successfully been able to not only open but also
run relax on a multi-processor platform on the fedora 24 posted below
(Eloranta). When I type in the mpirun ./relax command, I can sucessfully open
relax on a uniprocessor platform. When I type in mpirun -np 3 ./relax
--multi='mpi4py' however, there is no output. It shows a program is running,
since I can cancel it, and when I check the programs running in the background
(the png), I can see it running in the background; however, as indicated by
the png, relax does not actually load. I have left this to "load" for 24+
hours, still nothing loaded, so I don't think its an issue of it taking a
while to load.

I have posted both relax -i information for both the fedora 24 (works) and
fedora 20 (doesn't work), as well as a screenshot of the output when I type in
the multi command, and all the background running applications that indicate
relax is actually "running".



_______________________________________________________

File Attachments:


-------------------------------------------------------
Date: Mon 19 Sep 2016 05:38:48 PM UTC Name: Fedora_20_cannotrunmuli.png
Size: 288kB By: sam

<http://gna.org/bugs/download.php?file_id=28666>
-------------------------------------------------------
Date: Mon 19 Sep 2016 05:38:48 PM UTC Name: mpirun report bindings Size: 2kB
By: sam

<http://gna.org/bugs/download.php?file_id=28667>
-------------------------------------------------------
Date: Mon 19 Sep 2016 05:38:48 PM UTC Name: relax -i data Dr. Eloranta Size:
5kB By: sam

<http://gna.org/bugs/download.php?file_id=28668>
-------------------------------------------------------
Date: Mon 19 Sep 2016 05:38:48 PM UTC Name: relax -i data Size: 5kB By:
sam

<http://gna.org/bugs/download.php?file_id=28669>

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Troels E. Linnet
2016-09-19 17:47:17 UTC
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Follow-up Comment #1, bug #25084 (project relax):

Please upgrade!

Name Installed Version Current version
minfx True 1.0.4 1.0.12

relax information:
Version: 2.2.5 4.0.2



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sam
2016-09-19 21:09:18 UTC
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Additional Item Attachment, bug #25084 (project relax):

File name: relax -i data for 4.0,2 Size:5 KB


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sam
2016-09-19 21:13:56 UTC
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Additional Item Attachment, bug #25084 (project relax):

File name: Report-bindings fedora 24 Size:11 KB


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sam
2016-09-20 20:31:19 UTC
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Additional Item Attachment, bug #25084 (project relax):

File name: relax -i data for 4.0,2 Size:5 KB


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Troels E. Linnet
2016-09-24 08:12:23 UTC
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Follow-up Comment #3, bug #25084 (project relax):

Try make a run script like this and copy it some where to your PATH

myrelax
------
#!/bin/tcsh -fe

# Set the relax version used for this script.
set RELAX=/sbinlab2/tlinnet/software/NMR-relax/relax_trunk/relax

# Set number of available CPUs.
set NPROC=`nproc`
set NP=`echo $NPROC + 0 | bc `

echo "Running relax with NP=$NP in multi-processor mode"

# Run relax in multi processor mode.
mpirun -np $NP $RELAX --multi='mpi4py' $argv

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sam
2016-09-26 21:16:51 UTC
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Additional Item Attachment, bug #25084 (project relax):

File name: Screenshot from 2016-09-26 14:15:31.png Size:193 KB


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Troels E. Linnet
2016-09-29 16:33:47 UTC
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Update of bug #25084 (project relax):

Priority: 5 - Normal => 1 - Later
Severity: 3 - Normal => 2 - Minor
Status: None => External bug
Assigned to: None => tlinnet
Open/Closed: Open => Closed

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Follow-up Comment #4:

Closing this bug, as it not possible to inspect the users system.

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Edward d Auvergne
2016-09-30 08:07:31 UTC
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Follow-up Comment #5, bug #25084 (project relax):

A correctly configured MPI system should result in relax printing out the
introductory text within seconds. The problem is not from relax.

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Troels E. Linnet
2016-09-30 19:17:00 UTC
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Update of bug #25084 (project relax):

Open/Closed: Closed => Open

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Follow-up Comment #6:

Opening bug again.

Trying to write a script to get system information regarding openmpi.

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Edward d Auvergne
2016-09-30 19:23:33 UTC
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Follow-up Comment #7, bug #25084 (project relax):

Maybe see mpi4py.MPI.get_vendor(). That will get you the exact MPI version
that mpi4py is compiled against (though not its path). This might be worth
adding to the relax information printout.

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Edward d Auvergne
2016-09-30 19:34:06 UTC
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Follow-up Comment #8, bug #25084 (project relax):

Hmmm, mpi4py.MPI.get_vendor() is only present in later mpi4py versions.

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Edward d Auvergne
2016-09-30 19:39:15 UTC
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Follow-up Comment #9, bug #25084 (project relax):

I've attached a source code patch that implements MPI vendor information for
the relax information printout. This relies on the new
mpi4py.MPI.get_vendor() function though, and it does not give information
about the MPI installation path.

(file #28805)
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Additional Item Attachment:

File name: mpi4py_info.patch Size:1 KB


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Troels E. Linnet
2016-10-10 21:02:28 UTC
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Update of bug #25084 (project relax):

Open/Closed: Open => Closed

_______________________________________________________

Follow-up Comment #10:

Message from user. Problem solved.

I was able to get relax working on a multi-processor platform finally. I tried
using the mpich instead of openmpi.
module load mpi/mpich-x86_64
mpirun -np 7 ./relax --multi='mpi4py'

and it loaded up relax with 1 master and 7 slaves. I don't exactly understand
why openmpi doesn't work. I have gotten both from the package list, and
installed them directly., and I have mpi4py for both mpich and openmpi (I also
got these from the package list and installed directly), but this seemed to
finally get it to work.


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