helpGna! Administration - Support: sr #3251, ImportError: No module named relax

 
 
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sr #3251: ImportError: No module named relax

Submitted by:  Ana Marija Sokovic <ana>
Submitted on:  Wed May 20 20:58:59 2015  
 
Category: OtherPriority: 5 - Normal
Severity: 4 - ImportantStatus: None
Privacy: PublicAssigned to: None
Open/Closed: OpenOperating System: GNU/Linux

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Wed Sep 30 10:41:21 2015, comment #1:

Hi Ana. You may have posted this in the wrong location - this is the support requests for the Gna! Administration. You were probably looking for the support requests for the relax project.

Edward d Auvergne <bugman>
Wed May 20 20:58:59 2015, original submission:

Hi,

I was trying to install this on Cray XE6 machine, on lustre file system.
This is what I did:

#loaded version of python and libraries I want to use:

module load python/2.7.3
export PATH=/soft/python/2.7/2.7.3/python/bin/:$PATH
export LD_LIBRARY_PATH=/soft/python/2.7/2.7.3/python/lib:$LD_LIBRARY_PATH
export
PYTHONPATH=${PYTHONPATH}:/soft/python/2.7/2.7.3/modules/numpy/1.7.0/lib/python2.7/site-packages
export
PYTHONPATH=${PYTHONPATH}:/soft/python/2.7/2.7.3/modules/scipy/0.12.0/lib/python2.7/site-packages
export
PYTHONPATH=${PYTHONPATH}:/soft/python/2.7/2.7.3/modules/mpi4py/1.3/lib/python2.7/site-packages

#install virtualenv
wget
https://pypi.python.org/packages/source/v/virtualenv/virtualenv-12.1.1.tar.gz#md5=901ecbf302f5de9fdb31d843290b7217

tar -xvf virtualenv-12.1.1.tar.gz
cd virtualenv-12.1.1/
python virtualenv.py myVE
virtualenv ENV

#inside virtualenv dir I installed relax
wget http://download.gna.org/relax/relax-3.3.8.src.tar.bz2
tar xvjf relax-3.3.8.src.tar.bz2
python -m compileall .

#after that was completed (all on login nodes) I did:
export
LD_LIBRARY_PATH=/lustre/beagle2/ams/python_ins/virtualenv-12.1.1/relax-3.3.8/lib:$LD_LIBRARY_PATH

#tested relax on login nodes and it works

#Aftert that I tried to run it on compute nodes via:

#!/bin/bash
#PBS -N test
#PBS -q batch
#PBS -l walltime=00:30:00
#PBS -l mppwidth=64
#PBS -j oe

. /opt/modules/default/init/bash
module swap PrgEnv-cray PrgEnv-gnu
module load python/2.7.3
export PATH=/soft/python/2.7/2.7.3/python/bin/:$PATH
export
PYTHONPATH=${PYTHONPATH}:/soft/python/2.7/2.7.3/modules/numpy/1.7.0/lib/python2.7/site-packages
export
PYTHONPATH=${PYTHONPATH}:/soft/python/2.7/2.7.3/modules/scipy/0.12.0/lib/python2.7/site-packages
export
PYTHONPATH=${PYTHONPATH}:/soft/python/2.7/2.7.3/modules/mpi4py/1.3/lib/python2.7/site-packages
export
LD_LIBRARY_PATH=${LD_LIBRARY_PATH}:/lustre/beagle2/ams/python_ins/virtualenv-12.1.1/relax-3.3.8/lib

cd $PBS_O_WORKDIR

aprun -n 2 /lustre/beagle2/ams/python_ins/virtualenv-12.1.1/relax-3.3.8/relax
-multi=`mpi4py` -tee log
/lustre/beagle2/ams/python_ins/relax/relax-3.3.8/sample_scripts/angles.py

#run failed with: ImportError: No module named relax

Please help me with this.

Ana Marija Sokovic <ana>

 

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