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Created page with "== Background == This follow the discussion with Sam Mahdi, at the mailing list: https://mail.gna.org/public/relax-users/2016-09/threads.html#00001 Files has been uploaded to..."
== Background ==
This follow the discussion with Sam Mahdi, at the mailing list: https://mail.gna.org/public/relax-users/2016-09/threads.html#00001
Files has been uploaded to: bug #25044: https://gna.org/bugs/?25044
* Model Free Analysis problems when attempting to run on multi-processors and using the script to run
== Available data ==
* R1 600 MHz
* R2 600 MHz
* R1 800 MHz
* R2 800 MHz
* ssNOE 600 MHz
* ssNOE 800 MHz
== Version of relax and computer ==
Version og relax is 4.0.2
<source lang="text">
Hardware information:
Machine: x86_64
Processor: x86_64
Processor name: Intel(R) Core(TM)2 Duo CPU E7500 @ 2.93GHz
Endianness: little
Total RAM size: 2756 Mb
Total swap size: 2815 Mb
Operating system information:
System: Linux
Release: 4.5.7-300.fc24.x86_64
Version: #1 SMP Wed Jun 8 18:12:45 UTC 2016
GNU/Linux version: Fedora 24 Twenty Four
Distribution: fedora 24 Twenty Four
Full platform string: Linux-4.5.7-300.fc24.x86_64-x86_64-with-fedora-24-Twenty_Four
Python information:
Architecture: 64bit
Python version: 2.7.12
Python branch:
Python build: default, Aug 9 2016 15:48:18
Python compiler: GCC 6.1.1 20160621 (Red Hat 6.1.1-3)
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/student/relax-4.0.2', '/usr/lib/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', '/usr/lib64/python2.7/site-packages', '/usr/lib64/python2.7/site-packages/openmpi', '/usr/lib64/python2.7/site-packages/gtk-2.0', '/usr/lib/python2.7/site-packages']
Python packages and modules (most are optional):
Name Installed Version Path
minfx True 1.0.12 /home/student/relax-4.0.2/minfx
bmrblib True 1.0.4 /home/student/relax-4.0.2/bmrblib
numpy True 1.11.0 /usr/lib64/python2.7/site-packages/numpy
scipy True 0.16.1 /usr/lib64/python2.7/site-packages/scipy
wxPython False
matplotlib True 1.5.2rc2 /usr/lib64/python2.7/site-packages/matplotlib
mpi4py True 2.0.0 /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.
</source>
== Current script ==
Sam has provided this script
<source lang="python">
cd $CWD
set FIDS=`cat fid_files.ls`
set DIRN1=`dirname $PWD/${FIDS[1]}`
foreach I (`seq 2 ${#FIDS}`)
set FID=${FIDS[$I]}; set DIRN=`dirname $FID`
cd $DIRN
echo $DIRN
cp -f $DIRN1/fid.com .
cp -f $DIRN1/nmrproc.com .
./fid.com
./nmrproc.com
cd ..
end
</source>
== See also ==
[[Category:Tutorials]]
[[Category:Relaxation dispersion analysis]]
This follow the discussion with Sam Mahdi, at the mailing list: https://mail.gna.org/public/relax-users/2016-09/threads.html#00001
Files has been uploaded to: bug #25044: https://gna.org/bugs/?25044
* Model Free Analysis problems when attempting to run on multi-processors and using the script to run
== Available data ==
* R1 600 MHz
* R2 600 MHz
* R1 800 MHz
* R2 800 MHz
* ssNOE 600 MHz
* ssNOE 800 MHz
== Version of relax and computer ==
Version og relax is 4.0.2
<source lang="text">
Hardware information:
Machine: x86_64
Processor: x86_64
Processor name: Intel(R) Core(TM)2 Duo CPU E7500 @ 2.93GHz
Endianness: little
Total RAM size: 2756 Mb
Total swap size: 2815 Mb
Operating system information:
System: Linux
Release: 4.5.7-300.fc24.x86_64
Version: #1 SMP Wed Jun 8 18:12:45 UTC 2016
GNU/Linux version: Fedora 24 Twenty Four
Distribution: fedora 24 Twenty Four
Full platform string: Linux-4.5.7-300.fc24.x86_64-x86_64-with-fedora-24-Twenty_Four
Python information:
Architecture: 64bit
Python version: 2.7.12
Python branch:
Python build: default, Aug 9 2016 15:48:18
Python compiler: GCC 6.1.1 20160621 (Red Hat 6.1.1-3)
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/student/relax-4.0.2', '/usr/lib/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', '/usr/lib64/python2.7/site-packages', '/usr/lib64/python2.7/site-packages/openmpi', '/usr/lib64/python2.7/site-packages/gtk-2.0', '/usr/lib/python2.7/site-packages']
Python packages and modules (most are optional):
Name Installed Version Path
minfx True 1.0.12 /home/student/relax-4.0.2/minfx
bmrblib True 1.0.4 /home/student/relax-4.0.2/bmrblib
numpy True 1.11.0 /usr/lib64/python2.7/site-packages/numpy
scipy True 0.16.1 /usr/lib64/python2.7/site-packages/scipy
wxPython False
matplotlib True 1.5.2rc2 /usr/lib64/python2.7/site-packages/matplotlib
mpi4py True 2.0.0 /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.
</source>
== Current script ==
Sam has provided this script
<source lang="python">
cd $CWD
set FIDS=`cat fid_files.ls`
set DIRN1=`dirname $PWD/${FIDS[1]}`
foreach I (`seq 2 ${#FIDS}`)
set FID=${FIDS[$I]}; set DIRN=`dirname $FID`
cd $DIRN
echo $DIRN
cp -f $DIRN1/fid.com .
cp -f $DIRN1/nmrproc.com .
./fid.com
./nmrproc.com
cd ..
end
</source>
== See also ==
[[Category:Tutorials]]
[[Category:Relaxation dispersion analysis]]