Hi Troels,
So I had installed mpi4py via fedora package, but I had also downloaded it
via the mpi4py site. I downloaded and compiled the program using openmpi,
but was never able to install it due to not having root access (from the
site). The 1.3 version is the one I got from the package (was installed),
the 2.0 is what I had downloaded (compiled but never installed). I never
noticed relax was using the 2.0 version. Regardless, I have deleted the 2.0
version, to the point where the 1.3 version pops up now in my relax -i, but
I still have the same issue (no output for multi processor)
Here is the new relax -i
relax 4.0.2
Molecular dynamics by NMR data analysis
Copyright (C) 2001-2006 Edward d'Auvergne
Copyright (C) 2006-2016 the relax development team
This is free software which you are welcome to modify and redistribute
under the conditions of the
GNU General Public License (GPL). This program, including all modules, is
licensed under the GPL
and comes with absolutely no warranty. For details type 'GPL' within the
relax prompt.
Assistance in using the relax prompt and scripting interface can be
accessed by typing 'help' within
the prompt.
Processor fabric: Uni-processor.
Hardware information:
Machine: x86_64
Processor: x86_64
Processor name: Intel(R) Core(TM) i7-3770S CPU @ 3.10GHz
Endianness: little
Total RAM size: 7860 Mb
Total swap size: 7871 Mb
Operating system information:
System: Linux
Release: 3.19.8-100.fc20.x86_64
Version: #1 SMP Tue May 12 17:08:50 UTC 2015
GNU/Linux version: Fedora 20 Heisenbug
Distribution: fedora 20 Heisenbug
Full platform string:
Linux-3.19.8-100.fc20.x86_64-x86_64-with-fedora-20-Heisenbug
Python information:
Architecture: 64bit ELF
Python version: 2.7.5
Python branch:
Python build: default, Apr 10 2015 08:09:05
Python compiler: GCC 4.8.3 20140911 (Red Hat 4.8.3-7)
Libc version: glibc 2.2.5
Python implementation: CPython
Python revision:
Python executable: /usr/bin/python
Python flags: sys.flags(debug=0, py3k_warning=0,
division_warning=0, division_new=0, inspect=0, interactive=0, optimize=0,
dont_write_bytecode=0, no_user_site=0, no_site=0, ignore_environment=0,
tabcheck=0, verbose=0, unicode=0, bytes_warning=0, hash_randomization=0)
Python float info: sys.float_info(max=1.7976931348623157e+308,
max_exp=1024, max_10_exp=308, min=2.2250738585072014e-308, min_exp=-1021,
min_10_exp=-307, dig=15, mant_dig=53, epsilon=2.220446049250313e-16,
radix=2, rounds=1)
Python module path: ['/home/crowlab/relax-4.0.2',
'/usr/lib64/python2.7/site-packages/openmpi', '/usr/lib64/python27.zip',
'/usr/lib64/python2.7', '/usr/lib64/python2.7/plat-linux2',
'/usr/lib64/python2.7/lib-tk', '/usr/lib64/python2.7/lib-old',
'/usr/lib64/python2.7/lib-dynload',
'/home/crowlab/.local/lib/python2.7/site-packages',
'/usr/lib64/python2.7/site-packages',
'/usr/lib64/python2.7/site-packages/Numeric',
'/usr/lib64/python2.7/site-packages/gst-0.10',
'/usr/lib64/python2.7/site-packages/gtk-2.0',
'/usr/lib64/python2.7/site-packages/wx-2.8-gtk2-unicode',
'/usr/lib/python2.7/site-packages']
Python packages and modules (most are optional):
Name Installed Version
Path
minfx True 1.0.12
/home/crowlab/relax-4.0.2/minfx
bmrblib True 1.0.4
/home/crowlab/relax-4.0.2/bmrblib
numpy True 1.8.2
/usr/lib64/python2.7/site-packages/numpy
scipy True 0.12.1
/usr/lib64/python2.7/site-packages/scipy
wxPython True 2.8.12.0 (gtk2-unicode)
/usr/lib64/python2.7/site-packages/wx-2.8-gtk2-unicode/wx
matplotlib True 1.3.1
/usr/lib64/python2.7/site-packages/matplotlib
mpi4py True 1.3.1
/usr/lib64/python2.7/site-packages/openmpi/mpi4py
epydoc
False
optparse True 1.5.3
/usr/lib64/python2.7/optparse.pyc
readline True
/usr/lib64/python2.7/lib-dynload/readline.so
profile True
/usr/lib64/python2.7/profile.pyc
bz2 True
/usr/lib64/python2.7/lib-dynload/bz2.so
gzip True
/usr/lib64/python2.7/gzip.pyc
io True
/usr/lib64/python2.7/io.pyc
xml True 0.8.4 (internal)
/usr/lib64/python2.7/xml/__init__.pyc
xml.dom.minidom True
/usr/lib64/python2.7/xml/dom/minidom.pyc
relax information:
Version: 4.0.2
Processor fabric: Uni-processor.
relax C modules:
Module Compiled File
type
Path
target_functions.relax_fit True ELF 64-bit LSB shared object,
x86-64, version 1 (SYSV), dynamically linked,
BuildID[sha1]=a4dd72a7596bd6b46d9d312bed02644a2371c8ed, not stripped
/home/crowlab/relax-4.0.2/target_functions/relax_fit.so
And here is the output from the commands you told me.
crowlab: [~/relax-4.0.2]> python -c "import mpi4py; print
mpi4py.__version__"
1.3.1
crowlab: [~/relax-4.0.2]> mpirun --np 2 python -c "import sys;
print('%s'%sys.version_info)"
sys.version_info(major=2, minor=7, micro=5, releaselevel='final', serial=0)
sys.version_info(major=2, minor=7, micro=5, releaselevel='final', serial=0)
crowlab: [~/relax-4.0.2]> mpirun --np 2 python -c "import mpi4py; print
mpi4py.__version__"
1.3.1
1.3.1
crowlab: [~/relax-4.0.2]>
crowlab: [~/relax-4.0.2]> mpirun --np 2 python -c "import mpi4py; from
mpi4py import MPI; print('Mpi4py %s process %d of %d on %s.'
%(mpi4py.__version__, MPI.COMM_WORLD.Get_rank(),MPI.COMM_WORLD.Get_size(),
MPI.Get_processor_name()))"
I get no output from the last command. Relax -v povides
relax 4.0.2
Sincerely,
Sam
On Wed, Oct 5, 2016 at 4:07 AM, Troels Emtekær Linnet <tlin...@nmr-relax.com
> wrote:
> Hi Sam.
>
> One thing that bothers me, is that
> -------
> python -c "import mpi4py; print mpi4py.__version__"
> -------
> shows version 1.3.
>
> In the "relax -i" , you uploaded, it says:
> mpi4py True 2.0.0
> /home/crowlab/.local/lib/python2.7/site-packages/mpi4py
>
> So, lets check this.
>
> Do this in terminal: 3 small lines, and then one big line.
> -------
> python -c "import mpi4py; print mpi4py.__version__"
>
> mpirun --np 2 python -c "import sys; print('%s'%sys.version_info)"
>
> mpirun --np 2 python -c "import mpi4py; print mpi4py.__version__"
>
> mpirun --np 2 python -c "import mpi4py; from mpi4py import MPI;
> print('Mpi4py %s process %d of %d on %s.' %(mpi4py.__version__,
> MPI.COMM_WORLD.Get_rank(),MPI.COMM_WORLD.Get_size(),
> MPI.Get_processor_name()))"
> -------
>
> And in the end (we have done it before, lets try again):
> -------
> # NOTE: Use the FULL path to relax. Not the alias function. This is
> important
> mpirun --np 2 /home/tlinnet/relax-4.0.2/relax --multi='mpi4py' -v
> mpirun --np 2 /home/tlinnet/relax-4.0.2/relax --multi='mpi4py' -i
>
> # If this does not work, please provide
> relax -v
> relax -i
> -------
>
> Best
> Troels
>
> 2016-10-04 21:15 GMT+02:00 Mahdi, Sam <sam.mahdi....@my.csun.edu>:
>
>> Hi Troels,
>>
>> So I ran the script, here is the output. But I got no output for mpirun
>> -np 2 python -c "import mpi4py" command.
>> crowlab: [~]> which relax
>> relax: aliased to /home/crowlab/relax-4.0.2/relax
>> crowlab: [~]> #!/bin/tcsh
>> /bin/tcsh: Event not found.
>> crowlab: [~]> echo 'http://svn.gna.org/viewcvs/*c
>> heckout*/relax/trunk/devel_scripts/openmpi_test_install_tcsh.sh'
>> http://svn.gna.org/viewcvs/*checkout*/relax/trunk/devel_scri
>> pts/openmpi_test_install_tcsh.sh
>> crowlab: [~]> echo 'Source the commands with: source
>> openmpi_test_install_tcsh.sh'
>> Source the commands with: source openmpi_test_install_tcsh.sh
>> crowlab: [~]> echo ""
>>
>> crowlab: [~]> set A="'"
>> crowlab: [~]> echo "This is functions to test openmpi, python and
>> openmpi." echo ""
>> This is functions to test openmpi, python and openmpi. echo
>> crowlab: [~]>
>> crowlab: [~]> echo "Shell is: $SHELL"; echo ""
>> Shell is: /bin/tcsh
>>
>> crowlab: [~]>
>> crowlab: [~]> echo "> which mpirun"; which mpirun; echo ""
>> > which mpirun
>> /usr/lib64/openmpi/bin/mpirun
>>
>> crowlab: [~]>
>> crowlab: [~]> echo "> module avail"; module avail; echo ""
>> > module avail
>>
>> ------------------------ /usr/share/Modules/modulefiles
>> ------------------------
>> dot module-git module-info modules null use.own
>>
>> ------------------------------- /etc/modulefiles
>> -------------------------------
>> mpi/mpich-x86_64 mpi/openmpi-x86_64 mpich-x86_64
>>
>> crowlab: [~]>
>> crowlab: [~]> echo "> lscpu"; lscpu; echo ""
>> > lscpu
>> Architecture: x86_64
>> CPU op-mode(s): 32-bit, 64-bit
>> Byte Order: Little Endian
>> CPU(s): 8
>> On-line CPU(s) list: 0-7
>> Thread(s) per core: 2
>> Core(s) per socket: 4
>> Socket(s): 1
>> NUMA node(s): 1
>> Vendor ID: GenuineIntel
>> CPU family: 6
>> Model: 58
>> Model name: Intel(R) Core(TM) i7-3770S CPU @ 3.10GHz
>> Stepping: 9
>> CPU MHz: 1600.011
>> CPU max MHz: 3900.0000
>> CPU min MHz: 1600.0000
>> BogoMIPS: 6186.25
>> Virtualization: VT-x
>> L1d cache: 32K
>> L1i cache: 32K
>> L2 cache: 256K
>> L3 cache: 8192K
>> NUMA node0 CPU(s): 0-7
>>
>> crowlab: [~]>
>> crowlab: [~]> echo "> mpirun --version"; mpirun --version;echo ""
>> > mpirun --version
>> mpirun (Open MPI) 1.7.3
>>
>> Report bugs to http://www.open-mpi.org/community/help/
>>
>> crowlab: [~]>
>> crowlab: [~]> echo "> mpirun --report-bindings -np 2 echo $A hello world
>> $A"; mpirun --report-bindings -np 2 echo "hello world"; echo ""
>> > mpirun --report-bindings -np 2 echo ' hello world '
>> hello world
>> hello world
>>
>> crowlab: [~]>
>> crowlab: [~]> echo "> mpirun --report-bindings -np 2 python -c $A print
>> "\""hello"\"" $A"; mpirun --report-bindings -np 2 python -c "print $A hello
>> $A"; echo ""
>> > mpirun --report-bindings -np 2 python -c ' print "hello" '
>> hello
>> hello
>>
>> crowlab: [~]>
>> crowlab: [~]> echo "> mpirun --report-bindings -np 2 python --version";
>> mpirun --report-bindings -np 2 python --version; echo ""
>> > mpirun --report-bindings -np 2 python --version
>> Python 2.7.5
>> Python 2.7.5
>>
>> crowlab: [~]>
>> crowlab: [~]> echo "> mpirun --report-bindings -np 2 /usr/bin/env python
>> --version"; mpirun --report-bindings -np 2 /usr/bin/env python --version;
>> echo ""
>> > mpirun --report-bindings -np 2 /usr/bin/env python --version
>> Python 2.7.5
>> Python 2.7.5
>>
>> crowlab: [~]> echo "Testing python, mpi4py and mpirun"; python --version;
>> /usr/bin/env python --version; python -c "import mpi4py; print
>> mpi4py.__version__"
>> Testing python, mpi4py and mpirun
>> Python 2.7.5
>> Python 2.7.5
>> 1.3.1
>> crowlab: [~]>
>> crowlab: [~]> mpirun -np 2 python -c "import mpi4py; from mpi4py import
>> MPI; print($A Mpi4py %s process %d of %d on %s.$A %(mpi4py.__version__,
>> MPI.COMM_WORLD.Get_rank(),MPI.COMM_WORLD.Get_size(),
>> MPI.Get_processor_name()))"
>>
>>
>> Sincerely,
>> Sam
>>
>>
>>
>> On Mon, Oct 3, 2016 at 11:14 PM, Troels Emtekær Linnet <
>> tlin...@nmr-relax.com> wrote:
>>
>>> Hi Sam.
>>>
>>> Please try not to use the tilde.
>>> Use the full path instead.
>>> Sometimes the expansion of tilde can give problems.
>>>
>>> The module command looks right.
>>>
>>> Then start a new terminal.
>>> Try write: which relax
>>>
>>> And also paste in these command: Open the link in a browser.
>>>
>>>
>>> http://svn.gna.org/viewcvs/*checkout*/relax/trunk/devel_scri
>>> pts/openmpi_test_install_tcsh.sh?content-type=text%2Fplain
>>>
>>> Best Troels
>>>
>>>
>>> Den tirsdag den 4. oktober 2016 skrev Mahdi, Sam <
>>> sam.mahdi....@my.csun.edu>:
>>>
>>>> Hi Troels,
>>>>
>>>> So did you want me to simply put something like this?
>>>> alias relax '~/relax-4.0.2/relax'
>>>>
>>>> module load mpi/openmpi-x86_64
>>>>
>>>> And when you say run the mpirun, did you want me to rerun this script:
>>>> source openmpi_test_install.sh
>>>>
>>>> Sincerely,
>>>> Sam
>>>>
>>>>
>>>> On Mon, Oct 3, 2016 at 10:29 PM, Troels Emtekær Linnet <
>>>> tlin...@nmr-relax.com> wrote:
>>>>
>>>>> Hi Sam.
>>>>>
>>>>> Please modify the file.
>>>>> Remove the old two alias to relax, and make a new alias to the newest
>>>>> version of relax.
>>>>>
>>>>> You could/should also include the module load command here.
>>>>>
>>>>> Then open a new terminal.
>>>>> Try again with mpirun, etc.
>>>>>
>>>>> Den mandag den 3. oktober 2016 skrev Mahdi, Sam <
>>>>> sam.mahdi....@my.csun.edu>:
>>>>>
>>>>>> Hi Troels,
>>>>>>
>>>>>> So it was the tcshrc here was the output
>>>>>> lias rm 'rm -i'
>>>>>> alias cp 'cp -i'
>>>>>> alias mv 'mv -i'
>>>>>>
>>>>>> setenv NMR_CONT CORRECT_ALL
>>>>>> setenv GLOVEDIR ~/glove
>>>>>>
>>>>>> if (-e /usr/local/NMRPipe/com/nmrInit.linux9.com) then
>>>>>> source /usr/local/NMRPipe/com/nmrInit.linux9.com
>>>>>> endif
>>>>>>
>>>>>> set PATH = ($PATH /usr/local/java:$GLOVEDIR/bin)
>>>>>>
>>>>>> alias relax '/usr/local/relax-1.3.10/relax -g'
>>>>>>
>>>>>> alias csi '/usr/local//csi'
>>>>>>
>>>>>> alias nvj '/usr/local/bin/NMRViewJ'
>>>>>>
>>>>>> alias pymol '/usr/local/pymol/pymol.exe'
>>>>>>
>>>>>> alias nessy '/usr/local/nessy/nessy'
>>>>>>
>>>>>> alias relax '/usr/local/Relax/relax-2.2.5/relax -g'
>>>>>> #set prompt="crowlab >"
>>>>>>
>>>>>> alias naccess '/usr/local/Naccess/naccess2.1.1/naccess'
>>>>>>
>>>>>> if( ${?prompt} ) then
>>>>>> alias setprompt 'set prompt = "crowlab: [%c]> "'
>>>>>> alias cwdcmd 'setprompt'
>>>>>> setprompt
>>>>>> endif
>>>>>>
>>>>>> Also, the 2nd command gave me no responce.
>>>>>> crowlab: [~]> alias get 'set noglob; wget
>>>>>> http://svn.gna.org/viewcvs/*checkout*/relax/trunk/devel_scri
>>>>>> pts/openmpi_test_install_tcsh.sh;unset noglob'
>>>>>> crowlab: [~]>
>>>>>>
>>>>>>
>>>>>> On Mon, Oct 3, 2016 at 9:32 AM, Troels Emtekær Linnet <
>>>>>> tlin...@nmr-relax.com> wrote:
>>>>>>
>>>>>>> Hi Sam.
>>>>>>>
>>>>>>> I know your problem. :)
>>>>>>> It is the same for me. Getting hang of a system admin for our lab
>>>>>>> computers, and then to convince him/her
>>>>>>> to fix stuff is not easy.
>>>>>>>
>>>>>>> Thats why I test on Google Cloud.
>>>>>>> There I can get access to a multi core computer, and mess with it.
>>>>>>>
>>>>>>> But it only has a set of standard images. And Fedora is not one of
>>>>>>> them.
>>>>>>>
>>>>>>> But we can try to have a look at your personal shell setup.
>>>>>>> Can you display your login script?:
>>>>>>>
>>>>>>> One of these should be the right one.
>>>>>>> ---
>>>>>>> cat $HOME/.cshrc
>>>>>>> cat $HOME/.login,
>>>>>>> cat $HOME/.tcshrc
>>>>>>> ---
>>>>>>>
>>>>>>> And now try as well:
>>>>>>> ---
>>>>>>> alias get 'set noglob; wget http://svn.gna.org/viewcvs/*ch
>>>>>>> eckout*/relax/trunk/devel_scripts/openmpi_test_install_tcsh.sh;unset
>>>>>>> noglob'
>>>>>>> get
>>>>>>>
>>>>>>> # Source functions
>>>>>>> source openmpi_test_install_tcsh.sh
>>>>>>> testopenmpi
>>>>>>> -----
>>>>>>>
>>>>>>> 2016-10-03 18:13 GMT+02:00 Mahdi, Sam <sam.mahdi....@my.csun.edu>:
>>>>>>>
>>>>>>>> Hi Troels,
>>>>>>>>
>>>>>>>> It will be a bit difficult for me to attempt to update, remove, or
>>>>>>>> install any packages since I am not root user, which means I'd have to
>>>>>>>> wait
>>>>>>>> for my PI to come and install/remove packages or programs. Anything
>>>>>>>> regarding installing programs on a user basis I can do (such as
>>>>>>>> installing
>>>>>>>> relax), but I can not for example, install mpi4py. I can download it,
>>>>>>>> untar
>>>>>>>> it, even compile it using the mpicc wrapper, but I cannot install it.
>>>>>>>> I
>>>>>>>> know we discussed the potential problem could be because I have 2
>>>>>>>> version
>>>>>>>> of relax on my system. Could you try to potentially download another
>>>>>>>> version of relax (the other one I have is 2.2.5) and the older version
>>>>>>>> of
>>>>>>>> openmpi, and attempt to run it then? It would be a lot easier for me to
>>>>>>>> directly tell my PI to simply remove a file, or update one, then to
>>>>>>>> attempt
>>>>>>>> to troubleshoot with them.
>>>>>>>>
>>>>>>>> Sincerely,
>>>>>>>> Sam
>>>>>>>>
>>>>>>>> On Mon, Oct 3, 2016 at 8:58 AM, Troels Emtekær Linnet <
>>>>>>>> tlin...@nmr-relax.com> wrote:
>>>>>>>>
>>>>>>>>> Hi Sam.
>>>>>>>>>
>>>>>>>>> I can get relax to run and work on redhat/centos version 6.
>>>>>>>>>
>>>>>>>>> I have updated a deployment script for this:
>>>>>>>>> http://wiki.nmr-relax.com/Run_relax_at_Google_Cloud_Computin
>>>>>>>>> g#Install_packages_at_server
>>>>>>>>>
>>>>>>>>> Please have a look here:
>>>>>>>>> http://svn.gna.org/viewcvs/relax/trunk/devel_scripts/deploy_
>>>>>>>>> scripts/
>>>>>>>>>
>>>>>>>>> and specific:
>>>>>>>>> http://svn.gna.org/viewcvs/*checkout*/relax/trunk/devel_scri
>>>>>>>>> pts/deploy_scripts/deploy_google_computing_redhat_6_86_x64_u
>>>>>>>>> pgrade_python.sh?content-type=text%2Fplain
>>>>>>>>>
>>>>>>>>> This is for centos 6, which should get very close to fedora 20.
>>>>>>>>>
>>>>>>>>> For centos 6, the openmpi is version 1.8. And you have 1.7.3
>>>>>>>>>
>>>>>>>>> So, the only difference I can see is the openmpi version.
>>>>>>>>> Can you upgrade this?
>>>>>>>>>
>>>>>>>>> ------
>>>>>>>>> [tlinnet@instance-1 ~]$ relax_4.0.2 -i
>>>>>>>>>
>>>>>>>>>
>>>>>>>>>
>>>>>>>>> relax 4.0.2
>>>>>>>>>
>>>>>>>>> Molecular dynamics by NMR data
>>>>>>>>> analysis
>>>>>>>>>
>>>>>>>>> Copyright (C) 2001-2006 Edward
>>>>>>>>> d'Auvergne
>>>>>>>>> Copyright (C) 2006-2016 the relax
>>>>>>>>> development team
>>>>>>>>>
>>>>>>>>> This is free software which you are welcome to modify and
>>>>>>>>> redistribute under the conditions of the
>>>>>>>>> GNU General Public License (GPL). This program, including all
>>>>>>>>> modules, is licensed under the GPL
>>>>>>>>> and comes with absolutely no warranty. For details type 'GPL'
>>>>>>>>> within the relax prompt.
>>>>>>>>>
>>>>>>>>> Assistance in using the relax prompt and scripting interface can
>>>>>>>>> be accessed by typing 'help' within
>>>>>>>>> the prompt.
>>>>>>>>>
>>>>>>>>> Processor fabric: Uni-processor.
>>>>>>>>>
>>>>>>>>>
>>>>>>>>> Hardware information:
>>>>>>>>> Machine: x86_64
>>>>>>>>> Processor: x86_64
>>>>>>>>> Processor name: Intel(R) Xeon(R) CPU @ 2.50GHz
>>>>>>>>> Endianness: little
>>>>>>>>> Total RAM size: 3426 Mb
>>>>>>>>> Total swap size: 0 Mb
>>>>>>>>>
>>>>>>>>> Operating system information:
>>>>>>>>> System: Linux
>>>>>>>>> Release: 2.6.32-642.4.2.el6.x86_64
>>>>>>>>> Version: #1 SMP Tue Aug 23 19:58:13 UTC 2016
>>>>>>>>> GNU/Linux version: CentOS 6.8 Final
>>>>>>>>> Distribution: centos 6.8 Final
>>>>>>>>> Full platform string: Linux-2.6.32-642.4.2.el6.x86_
>>>>>>>>> 64-x86_64-with-centos-6.8-Final
>>>>>>>>>
>>>>>>>>> Python information:
>>>>>>>>> Architecture: 64bit ELF
>>>>>>>>> Python version: 2.7.8
>>>>>>>>> Python branch:
>>>>>>>>> Python build: default, May 15 2016 12:46:09
>>>>>>>>> Python compiler: GCC 4.4.7 20120313 (Red Hat 4.4.7-16)
>>>>>>>>> Libc version: glibc 2.2.5
>>>>>>>>> Python implementation: CPython
>>>>>>>>> Python revision:
>>>>>>>>> Python executable: /opt/rh/python27/root/usr/bin/python
>>>>>>>>> Python flags: sys.flags(debug=0, py3k_warning=0,
>>>>>>>>> division_warning=0, division_new=0, inspect=0, interactive=0,
>>>>>>>>> optimize=0,
>>>>>>>>> dont_write_bytecode=0, no_user_site=0, no_site=0,
>>>>>>>>> ignore_environment=0,
>>>>>>>>> tabcheck=0, verbose=0, unicode=0, bytes_warning=0,
>>>>>>>>> hash_randomization=0)
>>>>>>>>> Python float info:
>>>>>>>>> sys.float_info(max=1.7976931348623157e+308,
>>>>>>>>> max_exp=1024, max_10_exp=308, min=2.2250738585072014e-308,
>>>>>>>>> min_exp=-1021,
>>>>>>>>> min_10_exp=-307, dig=15, mant_dig=53, epsilon=2.220446049250313e-16,
>>>>>>>>> radix=2, rounds=1)
>>>>>>>>> Python module path: ['/home/tlinnet/relax-4.0.2',
>>>>>>>>> '/usr/lib64/python2.6/site-packages/openmpi',
>>>>>>>>> '/usr/lib64/python2.6/site-packages/wx-2.8-gtk2-unicode',
>>>>>>>>> '/opt/rh/python27/root/usr/lib64/python27.zip',
>>>>>>>>> '/opt/rh/python27/root/usr/lib64/python2.7',
>>>>>>>>> '/opt/rh/python27/root/usr/lib64/python2.7/plat-linux2',
>>>>>>>>> '/opt/rh/python27/root/usr/lib64/python2.7/lib-tk',
>>>>>>>>> '/opt/rh/python27/root/usr/lib64/python2.7/lib-old',
>>>>>>>>> '/opt/rh/python27/root/usr/lib64/python2.7/lib-dynload',
>>>>>>>>> '/opt/rh/python27/root/usr/lib64/python2.7/site-packages',
>>>>>>>>> '/opt/rh/python27/root/usr/lib/python2.7/site-packages']
>>>>>>>>>
>>>>>>>>> Python packages and modules (most are optional):
>>>>>>>>>
>>>>>>>>> Name Installed Version Path
>>>>>>>>>
>>>>>>>>> minfx True 1.0.12
>>>>>>>>> /home/tlinnet/relax-4.0.2/minfx
>>>>>>>>>
>>>>>>>>> bmrblib True 1.0.4
>>>>>>>>> /home/tlinnet/relax-4.0.2/bmrblib
>>>>>>>>>
>>>>>>>>> numpy True 1.7.1
>>>>>>>>> /opt/rh/python27/root/usr/lib64/python2.7/site-packages/numpy
>>>>>>>>>
>>>>>>>>> scipy True 0.12.1
>>>>>>>>> /opt/rh/python27/root/usr/lib64/python2.7/site-packages/scipy
>>>>>>>>>
>>>>>>>>> wxPython True 2.8.12.0 (gtk2-unicode)
>>>>>>>>> /usr/lib64/python2.6/site-packages/wx-2.8-gtk2-unicode/wx
>>>>>>>>>
>>>>>>>>> matplotlib True 1.5.3
>>>>>>>>> /opt/rh/python27/root/usr/lib64/python2.7/site-packages/matplotlib
>>>>>>>>>
>>>>>>>>> mpi4py True 2.0.0
>>>>>>>>> /opt/rh/python27/root/usr/lib64/python2.7/site-packages/mpi4py
>>>>>>>>>
>>>>>>>>> epydoc True 3.0.1
>>>>>>>>> /opt/rh/python27/root/usr/lib/python2.7/site-packages/epydoc
>>>>>>>>>
>>>>>>>>> optparse True 1.5.3
>>>>>>>>> /opt/rh/python27/root/usr/lib64/python2.7/optparse.pyc
>>>>>>>>>
>>>>>>>>> readline True
>>>>>>>>> /opt/rh/python27/root/usr/lib64/python2.7/lib-dynload/readline.so
>>>>>>>>>
>>>>>>>>> profile True
>>>>>>>>> /opt/rh/python27/root/usr/lib64/python2.7/profile.pyc
>>>>>>>>>
>>>>>>>>> bz2 True
>>>>>>>>> /opt/rh/python27/root/usr/lib64/python2.7/lib-dynload/bz2.so
>>>>>>>>>
>>>>>>>>> gzip True
>>>>>>>>> /opt/rh/python27/root/usr/lib64/python2.7/gzip.pyc
>>>>>>>>>
>>>>>>>>> io True
>>>>>>>>> /opt/rh/python27/root/usr/lib64/python2.7/io.pyc
>>>>>>>>>
>>>>>>>>> xml True 0.8.4 (internal)
>>>>>>>>> /opt/rh/python27/root/usr/lib64/python2.7/xml/__init__.pyc
>>>>>>>>>
>>>>>>>>> xml.dom.minidom True
>>>>>>>>> /opt/rh/python27/root/usr/lib64/python2.7/xml/dom/minidom.pyc
>>>>>>>>>
>>>>>>>>>
>>>>>>>>> relax information:
>>>>>>>>> Version: 4.0.2
>>>>>>>>> Processor fabric: Uni-processor.
>>>>>>>>>
>>>>>>>>> relax C modules:
>>>>>>>>>
>>>>>>>>> Module Compiled File type
>>>>>>>>>
>>>>>>>>> Path
>>>>>>>>>
>>>>>>>>> target_functions.relax_fit True ELF 64-bit LSB shared
>>>>>>>>> object, x86-64, version 1 (SYSV), dynamically linked, not stripped
>>>>>>>>> /home/tlinnet/relax-4.0.2/target_functions/relax_fit.so
>>>>>>>>> ---------
>>>>>>>>>
>>>>>>>>> [tlinnet@instance-1 ~]$ source openmpi_test_install_bash.sh
>>>>>>>>> http://svn.gna.org/viewcvs/*checkout*/relax/trunk/devel_scri
>>>>>>>>> pts/openmpi_test_install_bash.sh
>>>>>>>>> Source the commands with: source openmpi_test_install_bash.sh
>>>>>>>>> Then do: testopenmpi
>>>>>>>>>
>>>>>>>>> [tlinnet@instance-1 ~]$ testopenmpi
>>>>>>>>> This is functions to test openmpi, python and openmpi.
>>>>>>>>>
>>>>>>>>> Shell is: /bin/bash
>>>>>>>>>
>>>>>>>>> > which mpirun
>>>>>>>>> /usr/lib64/openmpi/bin/mpirun
>>>>>>>>>
>>>>>>>>> > module avail
>>>>>>>>>
>>>>>>>>> --------------------------------------------------------------------------------------
>>>>>>>>> /usr/share/Modules/modulefiles ------------------------------
>>>>>>>>> --------------------------------------------------------
>>>>>>>>> dot module-git module-info modules null use.own
>>>>>>>>>
>>>>>>>>> ------------------------------------------------------------
>>>>>>>>> --------------------------------- /etc/modulefiles
>>>>>>>>> ------------------------------------------------------------
>>>>>>>>> ---------------------------------
>>>>>>>>> openmpi-1.8-x86_64 openmpi-x86_64
>>>>>>>>>
>>>>>>>>> > lscpu
>>>>>>>>> Architecture: x86_64
>>>>>>>>> CPU op-mode(s): 32-bit, 64-bit
>>>>>>>>> Byte Order: Little Endian
>>>>>>>>> CPU(s): 4
>>>>>>>>> On-line CPU(s) list: 0-3
>>>>>>>>> Thread(s) per core: 2
>>>>>>>>> Core(s) per socket: 2
>>>>>>>>> Socket(s): 1
>>>>>>>>> NUMA node(s): 1
>>>>>>>>> Vendor ID: GenuineIntel
>>>>>>>>> CPU family: 6
>>>>>>>>> Model: 62
>>>>>>>>> Model name: Intel(R) Xeon(R) CPU @ 2.50GHz
>>>>>>>>> Stepping: 4
>>>>>>>>> CPU MHz: 2500.000
>>>>>>>>> BogoMIPS: 5000.00
>>>>>>>>> Hypervisor vendor: KVM
>>>>>>>>> Virtualization type: full
>>>>>>>>> L1d cache: 32K
>>>>>>>>> L1i cache: 32K
>>>>>>>>> L2 cache: 256K
>>>>>>>>> L3 cache: 30720K
>>>>>>>>> NUMA node0 CPU(s): 0-3
>>>>>>>>>
>>>>>>>>> > mpirun --version
>>>>>>>>> mpirun (Open MPI) 1.8.1
>>>>>>>>>
>>>>>>>>> Report bugs to http://www.open-mpi.org/community/help/
>>>>>>>>>
>>>>>>>>> > mpirun --report-bindings -np 2 echo "hello world"
>>>>>>>>> hello world
>>>>>>>>> [instance-1:03337] MCW rank 1 bound to socket 0[core 1[hwt 0-1]]:
>>>>>>>>> [../BB]
>>>>>>>>> [instance-1:03337] MCW rank 0 bound to socket 0[core 0[hwt 0-1]]:
>>>>>>>>> [BB/..]
>>>>>>>>> hello world
>>>>>>>>>
>>>>>>>>> > mpirun --report-bindings -np 2 python -c 'print " Hello " '
>>>>>>>>> [instance-1:03341] MCW rank 1 bound to socket 0[core 1[hwt 0-1]]:
>>>>>>>>> [../BB]
>>>>>>>>> [instance-1:03341] MCW rank 0 bound to socket 0[core 0[hwt 0-1]]:
>>>>>>>>> [BB/..]
>>>>>>>>> Hello
>>>>>>>>> Hello
>>>>>>>>>
>>>>>>>>> > mpirun --report-bindings -np 2 python --version
>>>>>>>>> [instance-1:03345] MCW rank 1 bound to socket 0[core 1[hwt 0-1]]:
>>>>>>>>> [../BB]
>>>>>>>>> [instance-1:03345] MCW rank 0 bound to socket 0[core 0[hwt 0-1]]:
>>>>>>>>> [BB/..]
>>>>>>>>> Python 2.7.8
>>>>>>>>> Python 2.7.8
>>>>>>>>>
>>>>>>>>> > mpirun --report-bindings -np 2 /usr/bin/env python --version
>>>>>>>>> [instance-1:03349] MCW rank 1 bound to socket 0[core 1[hwt 0-1]]:
>>>>>>>>> [../BB]
>>>>>>>>> [instance-1:03349] MCW rank 0 bound to socket 0[core 0[hwt 0-1]]:
>>>>>>>>> [BB/..]
>>>>>>>>> Python 2.7.8
>>>>>>>>> Python 2.7.8
>>>>>>>>>
>>>>>>>>> Testing python, mpi4py and mpirun
>>>>>>>>> Python 2.7.8
>>>>>>>>> Python 2.7.8
>>>>>>>>> 2.0.0
>>>>>>>>> Mpi4py 2.0.0 process 0 of 2 on instance-1.
>>>>>>>>> Mpi4py 2.0.0 process 1 of 2 on instance-1.
>>>>>>>>>
>>>>>>>>> --------
>>>>>>>>>
>>>>>>>>> [tlinnet@instance-1 ~]$ mpirun --np 2 relax_4.0.2
>>>>>>>>> --multi='mpi4py' --version
>>>>>>>>> relax 4.0.2
>>>>>>>>>
>>>>>>>>>
>>>>>>>>>
>>>>>>>>>
>>>>>>>>>
>>>>>>>>> 2016-10-03 12:39 GMT+02:00 Troels Emtekær Linnet <
>>>>>>>>> tlin...@nmr-relax.com>:
>>>>>>>>>
>>>>>>>>>> Hi Sam.
>>>>>>>>>>
>>>>>>>>>> The commands reflect the BASH shell and not TCSH.
>>>>>>>>>> Thats why there i a little difference.
>>>>>>>>>>
>>>>>>>>>> Can you display your login script?:
>>>>>>>>>>
>>>>>>>>>> One of these should be the right one.
>>>>>>>>>> cat $HOME/.cshrc
>>>>>>>>>> cat $HOME/.login,
>>>>>>>>>> cat $HOME/.tcshrc
>>>>>>>>>>
>>>>>>>>>>
>>>>>>>>>>
>>>>>>>>>>
>>>>>>>>>>
>>>>>>>>>> 2016-10-03 1:50 GMT+02:00 Mahdi, Sam <sam.mahdi....@my.csun.edu>:
>>>>>>>>>>
>>>>>>>>>>> Hi Troels,
>>>>>>>>>>>
>>>>>>>>>>> Here is the output
>>>>>>>>>>> source openmpi_test_install.sh
>>>>>>>>>>> http://svn.gna.org/viewcvs/*checkout*/relax/trunk/devel_scri
>>>>>>>>>>> pts/openmpi_test_install.sh
>>>>>>>>>>> Source the commands with: source openmpi_test_install.sh
>>>>>>>>>>> Then do: testopenmpi
>>>>>>>>>>>
>>>>>>>>>>> function: Command not found.
>>>>>>>>>>> This is functions to test openmpi, python and openmpi.
>>>>>>>>>>>
>>>>>>>>>>> Shell is: /bin/tcsh
>>>>>>>>>>>
>>>>>>>>>>> > which mpirun
>>>>>>>>>>> mpirun: Command not found.
>>>>>>>>>>>
>>>>>>>>>>> > module avail
>>>>>>>>>>>
>>>>>>>>>>> ------------------------ /usr/share/Modules/modulefiles
>>>>>>>>>>> ------------------------
>>>>>>>>>>> dot module-git module-info modules null
>>>>>>>>>>> use.own
>>>>>>>>>>>
>>>>>>>>>>> ------------------------------- /etc/modulefiles
>>>>>>>>>>> -------------------------------
>>>>>>>>>>> mpi/mpich-x86_64 mpi/openmpi-x86_64 mpich-x86_64
>>>>>>>>>>>
>>>>>>>>>>> > lscpu
>>>>>>>>>>> Architecture: x86_64
>>>>>>>>>>> CPU op-mode(s): 32-bit, 64-bit
>>>>>>>>>>> Byte Order: Little Endian
>>>>>>>>>>> CPU(s): 8
>>>>>>>>>>> On-line CPU(s) list: 0-7
>>>>>>>>>>> Thread(s) per core: 2
>>>>>>>>>>> Core(s) per socket: 4
>>>>>>>>>>> Socket(s): 1
>>>>>>>>>>> NUMA node(s): 1
>>>>>>>>>>> Vendor ID: GenuineIntel
>>>>>>>>>>> CPU family: 6
>>>>>>>>>>> Model: 58
>>>>>>>>>>> Model name: Intel(R) Core(TM) i7-3770S CPU @ 3.10GHz
>>>>>>>>>>> Stepping: 9
>>>>>>>>>>> CPU MHz: 3653.640
>>>>>>>>>>> CPU max MHz: 3900.0000
>>>>>>>>>>> CPU min MHz: 1600.0000
>>>>>>>>>>> BogoMIPS: 6186.25
>>>>>>>>>>> Virtualization: VT-x
>>>>>>>>>>> L1d cache: 32K
>>>>>>>>>>> L1i cache: 32K
>>>>>>>>>>> L2 cache: 256K
>>>>>>>>>>> L3 cache: 8192K
>>>>>>>>>>> NUMA node0 CPU(s): 0-7
>>>>>>>>>>>
>>>>>>>>>>> > mpirun --version
>>>>>>>>>>> mpirun: Command not found.
>>>>>>>>>>>
>>>>>>>>>>> > mpirun --report-bindings -np 2 echo "hello world"
>>>>>>>>>>> mpirun: Command not found.
>>>>>>>>>>>
>>>>>>>>>>> A=": Command not found.
>>>>>>>>>>> A: Undefined variable.
>>>>>>>>>>>
>>>>>>>>>>>
>>>>>>>>>>> The reason the mpi commands didn't work, is becaues openmpi was
>>>>>>>>>>> not loaded. I modified your script (added: module load
>>>>>>>>>>> mpi/openmpi-x86_64)
>>>>>>>>>>> and then got this output
>>>>>>>>>>>
>>>>>>>>>>> source openmpi_test_install.sh
>>>>>>>>>>> http://svn.gna.org/viewcvs/*checkout*/relax/trunk/devel_scri
>>>>>>>>>>> pts/openmpi_test_install.sh
>>>>>>>>>>> Source the commands with: source openmpi_test_install.sh
>>>>>>>>>>> Then do: testopenmpi
>>>>>>>>>>>
>>>>>>>>>>> function: Command not found.
>>>>>>>>>>> This is functions to test openmpi, python and openmpi.
>>>>>>>>>>>
>>>>>>>>>>> Shell is: /bin/tcsh
>>>>>>>>>>>
>>>>>>>>>>> > which mpirun
>>>>>>>>>>> /usr/lib64/openmpi/bin/mpirun
>>>>>>>>>>>
>>>>>>>>>>> > module avail
>>>>>>>>>>>
>>>>>>>>>>> ------------------------------------
>>>>>>>>>>> /usr/share/Modules/modulefiles ------------------------------
>>>>>>>>>>> ------
>>>>>>>>>>> dot module-git module-info modules null
>>>>>>>>>>> use.own
>>>>>>>>>>>
>>>>>>>>>>> ------------------------------------------- /etc/modulefiles
>>>>>>>>>>> -------------------------------------------
>>>>>>>>>>> mpi/mpich-x86_64 mpi/openmpi-x86_64 mpich-x86_64
>>>>>>>>>>>
>>>>>>>>>>> > lscpu
>>>>>>>>>>> Architecture: x86_64
>>>>>>>>>>> CPU op-mode(s): 32-bit, 64-bit
>>>>>>>>>>> Byte Order: Little Endian
>>>>>>>>>>> CPU(s): 8
>>>>>>>>>>> On-line CPU(s) list: 0-7
>>>>>>>>>>> Thread(s) per core: 2
>>>>>>>>>>> Core(s) per socket: 4
>>>>>>>>>>> Socket(s): 1
>>>>>>>>>>> NUMA node(s): 1
>>>>>>>>>>> Vendor ID: GenuineIntel
>>>>>>>>>>> CPU family: 6
>>>>>>>>>>> Model: 58
>>>>>>>>>>> Model name: Intel(R) Core(TM) i7-3770S CPU @ 3.10GHz
>>>>>>>>>>> Stepping: 9
>>>>>>>>>>> CPU MHz: 3733.320
>>>>>>>>>>> CPU max MHz: 3900.0000
>>>>>>>>>>> CPU min MHz: 1600.0000
>>>>>>>>>>> BogoMIPS: 6186.25
>>>>>>>>>>> Virtualization: VT-x
>>>>>>>>>>> L1d cache: 32K
>>>>>>>>>>> L1i cache: 32K
>>>>>>>>>>> L2 cache: 256K
>>>>>>>>>>> L3 cache: 8192K
>>>>>>>>>>> NUMA node0 CPU(s): 0-7
>>>>>>>>>>>
>>>>>>>>>>> > mpirun --version
>>>>>>>>>>> mpirun (Open MPI) 1.7.3
>>>>>>>>>>>
>>>>>>>>>>> Report bugs to http://www.open-mpi.org/community/help/
>>>>>>>>>>>
>>>>>>>>>>> > mpirun --report-bindings -np 2 echo "hello world"
>>>>>>>>>>> hello world
>>>>>>>>>>> hello world
>>>>>>>>>>>
>>>>>>>>>>> A=": Command not found.
>>>>>>>>>>> A: Undefined variable.
>>>>>>>>>>>
>>>>>>>>>>> As to why the report bindings on python didn't work. I don't
>>>>>>>>>>> know what the A command means, so I don't know what happened there.
>>>>>>>>>>>
>>>>>>>>>>> Sincerely,
>>>>>>>>>>> Sam
>>>>>>>>>>>
>>>>>>>>>>>
>>>>>>>>>>> On Sun, Oct 2, 2016 at 4:16 PM, Troels Emtekær Linnet <
>>>>>>>>>>> tlin...@nmr-relax.com> wrote:
>>>>>>>>>>>
>>>>>>>>>>>> Hi Sam.
>>>>>>>>>>>>
>>>>>>>>>>>> Can you try this in your terminal.
>>>>>>>>>>>> I am trying to write a script, which should check at users
>>>>>>>>>>>> setup mpirun.
>>>>>>>>>>>>
>>>>>>>>>>>> --
>>>>>>>>>>>>
>>>>>>>>>>>> URL=http://svn.gna.org/viewcvs/*checkout*/relax/trunk/devel_
>>>>>>>>>>>> scripts/openmpi_test_install.sh
>>>>>>>>>>>> wget $URL
>>>>>>>>>>>>
>>>>>>>>>>>> # Source functions
>>>>>>>>>>>> source openmpi_test_install.sh
>>>>>>>>>>>> testopenmpi
>>>>>>>>>>>>
>>>>>>>>>>>> 2016-10-01 0:22 GMT+02:00 Troels Emtekær Linnet <
>>>>>>>>>>>> tlin...@nmr-relax.com>:
>>>>>>>>>>>>
>>>>>>>>>>>>> Hi Sam.
>>>>>>>>>>>>>
>>>>>>>>>>>>> Can you try:
>>>>>>>>>>>>> mpirun --version
>>>>>>>>>>>>>
>>>>>>>>>>>>> Thanks
>>>>>>>>>>>>>
>>>>>>>>>>>>> 2016-10-01 0:00 GMT+02:00 Mahdi, Sam <
>>>>>>>>>>>>> sam.mahdi....@my.csun.edu>:
>>>>>>>>>>>>>
>>>>>>>>>>>>>> Hi Troels,
>>>>>>>>>>>>>>
>>>>>>>>>>>>>> Here is a list of the packages I got off of the fedora
>>>>>>>>>>>>>> package list
>>>>>>>>>>>>>> Openmpi:
>>>>>>>>>>>>>> openmpi-1.7.3-1.fc.20(64-bit)
>>>>>>>>>>>>>> openmpi-devel-1.7.3-1.fc20(64bit)
>>>>>>>>>>>>>> pypar-openmpi-2.1.5_108_3.fc.20(64bit)
>>>>>>>>>>>>>> python3-mpi4py-1.3.1-1.fc20(64bit)
>>>>>>>>>>>>>>
>>>>>>>>>>>>>> Mpi4py
>>>>>>>>>>>>>> mpi4py-common-1.3.1-1.fc20
>>>>>>>>>>>>>> mpi4py-mpich-1.3.1-1.fc20
>>>>>>>>>>>>>> mpi4py-openmpi-1.3.1-1.fc20
>>>>>>>>>>>>>> python3-mpi4py-mpich-1.3.1-1.fc20
>>>>>>>>>>>>>> python3-mpi4py-openmpi-1.3.1-1.fc20
>>>>>>>>>>>>>>
>>>>>>>>>>>>>> Note: I now know the mpich is extra and pointless. I only use
>>>>>>>>>>>>>> the openmpi when I load my modules. I have not compiled or
>>>>>>>>>>>>>> configured
>>>>>>>>>>>>>> anything with these packages. I just installed them directly
>>>>>>>>>>>>>> from the
>>>>>>>>>>>>>> package list. If you need any more info on what is installed on
>>>>>>>>>>>>>> these
>>>>>>>>>>>>>> computers let me know!
>>>>>>>>>>>>>>
>>>>>>>>>>>>>> Sincerely,
>>>>>>>>>>>>>> Sam
>>>>>>>>>>>>>>
>>>>>>>>>>>>>>
>>>>>>>>>>>>>> On Fri, Sep 30, 2016 at 2:23 PM, Troels Emtekær Linnet <
>>>>>>>>>>>>>> tlin...@nmr-relax.com> wrote:
>>>>>>>>>>>>>>
>>>>>>>>>>>>>>> Hi Sam.
>>>>>>>>>>>>>>>
>>>>>>>>>>>>>>> I am trying to setup myself on Google Cloud Platform.
>>>>>>>>>>>>>>>
>>>>>>>>>>>>>>> Here I setting up for a Redhat 6 distro, in hope it gets
>>>>>>>>>>>>>>> close to Fedora 20.
>>>>>>>>>>>>>>>
>>>>>>>>>>>>>>> I am currently making a deployment script.
>>>>>>>>>>>>>>>
>>>>>>>>>>>>>>> The process is written here:
>>>>>>>>>>>>>>> http://wiki.nmr-relax.com/Run_relax_at_Google_Cloud_Computin
>>>>>>>>>>>>>>> g#Install_packages_at_server
>>>>>>>>>>>>>>>
>>>>>>>>>>>>>>> But that is a little old, since the configurations has
>>>>>>>>>>>>>>> changed a little since 2015.
>>>>>>>>>>>>>>> And the last deployment script is for Ubuntu.
>>>>>>>>>>>>>>>
>>>>>>>>>>>>>>> Getting the packages right is a pain.... ;)
>>>>>>>>>>>>>>>
>>>>>>>>>>>>>>> Let me return when I know some more.
>>>>>>>>>>>>>>>
>>>>>>>>>>>>>>>
>>>>>>>>>>>>>>>
>>>>>>>>>>>>>>> 2016-09-30 23:03 GMT+02:00 Mahdi, Sam <
>>>>>>>>>>>>>>> sam.mahdi....@my.csun.edu>:
>>>>>>>>>>>>>>>
>>>>>>>>>>>>>>>> Hi Troels,
>>>>>>>>>>>>>>>>
>>>>>>>>>>>>>>>> I attempted the full path
>>>>>>>>>>>>>>>> mpirun -np 5 ~/relax-4.0.2/relax --multi="mpi4py" -v
>>>>>>>>>>>>>>>> and still got the same result. No output.
>>>>>>>>>>>>>>>>
>>>>>>>>>>>>>>>> Sincerely,
>>>>>>>>>>>>>>>> Sam
>>>>>>>>>>>>>>>>
>>>>>>>>>>>>>>>> On Fri, Sep 30, 2016 at 11:43 AM, Troels Emtekær Linnet <
>>>>>>>>>>>>>>>> tlin...@nmr-relax.com> wrote:
>>>>>>>>>>>>>>>>
>>>>>>>>>>>>>>>>> Hi Sam.
>>>>>>>>>>>>>>>>>
>>>>>>>>>>>>>>>>> Hm. Alright.
>>>>>>>>>>>>>>>>>
>>>>>>>>>>>>>>>>> But to rule it out in my head, can you try this:
>>>>>>>>>>>>>>>>>
>>>>>>>>>>>>>>>>> mpirun -np 5 /home/users/software/relax-4.0.2/relax
>>>>>>>>>>>>>>>>> --multi="mpi4py" -v
>>>>>>>>>>>>>>>>>
>>>>>>>>>>>>>>>>> Or similar destination path.
>>>>>>>>>>>>>>>>> But please try the full path.
>>>>>>>>>>>>>>>>>
>>>>>>>>>>>>>>>>> Best
>>>>>>>>>>>>>>>>> Troels
>>>>>>>>>>>>>>>>>
>>>>>>>>>>>>>>>>> 2016-09-30 19:47 GMT+02:00 Mahdi, Sam <
>>>>>>>>>>>>>>>>> sam.mahdi....@my.csun.edu>:
>>>>>>>>>>>>>>>>>
>>>>>>>>>>>>>>>>>> I get the same results with the full path mpirun -np 5
>>>>>>>>>>>>>>>>>> ~/relax-4.0.2/relax --multi="mpi4py" -v
>>>>>>>>>>>>>>>>>> Still no output.
>>>>>>>>>>>>>>>>>>
>>>>>>>>>>>>>>>>>> Sincerely,
>>>>>>>>>>>>>>>>>> Sam
>>>>>>>>>>>>>>>>>>
>>>>>>>>>>>>>>>>>> On Fri, Sep 30, 2016 at 10:39 AM, Troels Emtekær Linnet <
>>>>>>>>>>>>>>>>>> tlin...@nmr-relax.com> wrote:
>>>>>>>>>>>>>>>>>>
>>>>>>>>>>>>>>>>>>> Sam.
>>>>>>>>>>>>>>>>>>>
>>>>>>>>>>>>>>>>>>> All points to:
>>>>>>>>>>>>>>>>>>> "./relax" is NOT calling relax in the current folder.
>>>>>>>>>>>>>>>>>>>
>>>>>>>>>>>>>>>>>>> It is because the command "mpirun" is running it.
>>>>>>>>>>>>>>>>>>>
>>>>>>>>>>>>>>>>>>> Please provide the FULL path to relax.
>>>>>>>>>>>>>>>>>>>
>>>>>>>>>>>>>>>>>>> I think I have written this before. ;)
>>>>>>>>>>>>>>>>>>>
>>>>>>>>>>>>>>>>>>> Best
>>>>>>>>>>>>>>>>>>> Troels
>>>>>>>>>>>>>>>>>>>
>>>>>>>>>>>>>>>>>>>
>>>>>>>>>>>>>>>>>>> 2016-09-30 19:24 GMT+02:00 Mahdi, Sam <
>>>>>>>>>>>>>>>>>>> sam.mahdi....@my.csun.edu>:
>>>>>>>>>>>>>>>>>>>
>>>>>>>>>>>>>>>>>>>> Sorry, you're right, I re-ran the mpirun -np 5 ./relax
>>>>>>>>>>>>>>>>>>>> --multi="mpi4py" -v
>>>>>>>>>>>>>>>>>>>> and got no output. So I'm just curious for the other
>>>>>>>>>>>>>>>>>>>> computers I download
>>>>>>>>>>>>>>>>>>>> openmpi in, just installing it and compiling it isn't
>>>>>>>>>>>>>>>>>>>> enough? There are
>>>>>>>>>>>>>>>>>>>> some configurations you have to make to have it run on
>>>>>>>>>>>>>>>>>>>> relax?
>>>>>>>>>>>>>>>>>>>>
>>>>>>>>>>>>>>>>>>>> Sincerely,
>>>>>>>>>>>>>>>>>>>> Sam
>>>>>>>>>>>>>>>>>>>>
>>>>>>>>>>>>>>>>>>>> On Fri, Sep 30, 2016 at 10:17 AM, Edward d'Auvergne <
>>>>>>>>>>>>>>>>>>>> edw...@nmr-relax.com>
>>>>>>>>>>>>>>>>>>>> wrote:
>>>>>>>>>>>>>>>>>>>>
>>>>>>>>>>>>>>>>>>>> > On 30 September 2016 at 19:12, Mahdi, Sam <
>>>>>>>>>>>>>>>>>>>> sam.mahdi....@my.csun.edu>
>>>>>>>>>>>>>>>>>>>> > wrote:
>>>>>>>>>>>>>>>>>>>> > > Hi Edward,
>>>>>>>>>>>>>>>>>>>> > >
>>>>>>>>>>>>>>>>>>>> > > So I ran the the mpirun commands you suggested. The
>>>>>>>>>>>>>>>>>>>> echo world works
>>>>>>>>>>>>>>>>>>>> > fine. I
>>>>>>>>>>>>>>>>>>>> > > get the same results you did. For the relax one,
>>>>>>>>>>>>>>>>>>>> this is the output I
>>>>>>>>>>>>>>>>>>>> > > recieved
>>>>>>>>>>>>>>>>>>>> > > [~/relax-4.0.2]> mpirun -np 5 ./relax
>>>>>>>>>>>>>>>>>>>> --multi="mpi4py" -v relax 4.0.2
>>>>>>>>>>>>>>>>>>>> > > Usage: relax [options] [script_file]
>>>>>>>>>>>>>>>>>>>> > >
>>>>>>>>>>>>>>>>>>>> > > RelaxError: incorrect number of arguments
>>>>>>>>>>>>>>>>>>>> >
>>>>>>>>>>>>>>>>>>>> > Have a close look at my original text:
>>>>>>>>>>>>>>>>>>>> >
>>>>>>>>>>>>>>>>>>>> > [edward@localhost ~]$ mpirun -np 5
>>>>>>>>>>>>>>>>>>>> /data/relax/tags/4.0.2/relax
>>>>>>>>>>>>>>>>>>>> > --multi="mpi4py" -v
>>>>>>>>>>>>>>>>>>>> > relax 4.0.2
>>>>>>>>>>>>>>>>>>>> > [edward@localhost ~]$
>>>>>>>>>>>>>>>>>>>> >
>>>>>>>>>>>>>>>>>>>> > Note how "relax 4.0.2" is on a different line - that
>>>>>>>>>>>>>>>>>>>> is the relax
>>>>>>>>>>>>>>>>>>>> > output, not the command line input. Try again
>>>>>>>>>>>>>>>>>>>> without that text.
>>>>>>>>>>>>>>>>>>>> >
>>>>>>>>>>>>>>>>>>>> >
>>>>>>>>>>>>>>>>>>>> > > RelaxError: ambiguous option: --v
>>>>>>>>>>>>>>>>>>>> (--verification-tests, --version?)
>>>>>>>>>>>>>>>>>>>> >
>>>>>>>>>>>>>>>>>>>> > This is because the double-dash to single-dash
>>>>>>>>>>>>>>>>>>>> conversion is only in
>>>>>>>>>>>>>>>>>>>> > the HTML version of the relax manual, and not
>>>>>>>>>>>>>>>>>>>> emails. Run "relax -h"
>>>>>>>>>>>>>>>>>>>> > to see a description of this option.
>>>>>>>>>>>>>>>>>>>> >
>>>>>>>>>>>>>>>>>>>> >
>>>>>>>>>>>>>>>>>>>> > > Also, the reason its ./relax is because I have
>>>>>>>>>>>>>>>>>>>> relax 2.2.5 installed,
>>>>>>>>>>>>>>>>>>>> > and I
>>>>>>>>>>>>>>>>>>>> > > have that set up as an Alias, so if I just type
>>>>>>>>>>>>>>>>>>>> relax, it'll open up
>>>>>>>>>>>>>>>>>>>> > relax
>>>>>>>>>>>>>>>>>>>> > > 2.2.5. So I went to the actual relax-4.0.2.
>>>>>>>>>>>>>>>>>>>> directory instead of
>>>>>>>>>>>>>>>>>>>> > indicating
>>>>>>>>>>>>>>>>>>>> > > its path and just typed ./relax. (By I, I mean the
>>>>>>>>>>>>>>>>>>>> administrator of this
>>>>>>>>>>>>>>>>>>>> > > computer, I do not have root access to this
>>>>>>>>>>>>>>>>>>>> computer).
>>>>>>>>>>>>>>>>>>>> >
>>>>>>>>>>>>>>>>>>>> > You should set your alias to the relax-4.0.2 version
>>>>>>>>>>>>>>>>>>>> instead. The
>>>>>>>>>>>>>>>>>>>> > 2.2.5 version is very, very old, and many bugs have
>>>>>>>>>>>>>>>>>>>> been fixed since
>>>>>>>>>>>>>>>>>>>> > then.
>>>>>>>>>>>>>>>>>>>> >
>>>>>>>>>>>>>>>>>>>> > Regards,
>>>>>>>>>>>>>>>>>>>> >
>>>>>>>>>>>>>>>>>>>> > Edward
>>>>>>>>>>>>>>>>>>>> >
>>>>>>>>>>>>>>>>>>>> _______________________________________________
>>>>>>>>>>>>>>>>>>>> relax (http://www.nmr-relax.com)
>>>>>>>>>>>>>>>>>>>>
>>>>>>>>>>>>>>>>>>>> This is the relax-users mailing list
>>>>>>>>>>>>>>>>>>>> relax-users@gna.org
>>>>>>>>>>>>>>>>>>>>
>>>>>>>>>>>>>>>>>>>> To unsubscribe from this list, get a password
>>>>>>>>>>>>>>>>>>>> reminder, or change your subscription options,
>>>>>>>>>>>>>>>>>>>> visit the list information page at
>>>>>>>>>>>>>>>>>>>> https://mail.gna.org/listinfo/relax-users
>>>>>>>>>>>>>>>>>>>>
>>>>>>>>>>>>>>>>>>>
>>>>>>>>>>>>>>>>>>>
>>>>>>>>>>>>>>>>>>
>>>>>>>>>>>>>>>>>
>>>>>>>>>>>>>>>>
>>>>>>>>>>>>>>>
>>>>>>>>>>>>>>
>>>>>>>>>>>>>
>>>>>>>>>>>>
>>>>>>>>>>>
>>>>>>>>>>
>>>>>>>>>
>>>>>>>>
>>>>>>>
>>>>>>
>>>>
>>
>
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