about run alps tutorial on super computer(cluster)

[sassan72]

Has anyone run a python script on a super computer so far with ALPS? if yes. could you please tell me how I can do it.

[egull]

ALPS is being used on supercomputers and small computers. Please tell more about your configuration

[sassan72]

Thanks Emanuel. the alpscore/2.2.0 has been installed on Compute Canada. I wrote this job to run one of ALPS example with the name of tutorial1a.py on compute Canada.
here is the job file:

#!/bin/bash
#SBATCH --account=def-rkrems
#SBATCH --time=00:20:00
#SBATCH --mem-per-cpu=1G
#SBATCH --cpus-per-task=2 # number of cores
#SBATCH --ntasks-per-node=1

module load python
module load alpscore

source /project/6006189/sassan72/ENV3/bin/activate

python /project/6006189/sassan72/tutorial1a.py

but I got this error.

Traceback (most recent call last):
File "/project/6006189/sassan72/tutorial1a.py", line 31, in
import pyalps
ModuleNotFoundError: No module named 'pyalps'

how can I fix the job? as I told you APLScore/2.2.0 has been installed.

[sassan72]

by the way, compute Canada is a linux based supercomputer.

[jpfleblanc]

Hi! I have not attempted to use the python functionality of the alpscore module on the compute canada easybuild stack. The first problem you are encountering is an issue of the python environment on the newer compute canada systems. In short, even if alpscore contains python bindings they might not be accessible to python without some effort. In order to install custom python packages you need to first initiate a python virtual environment where you will have permissions to add and remove python modules. Some information on doing this is here: https://docs.computecanada.ca/wiki/Python My feeling is that the alpscore module installed there does not have the python components. Perhaps emanuel can comment more on that. Is https://github.com/ALPSCore/ALPSCore-Python needed for python bindings?

…

On Mon, Jun 29, 2020 at 6:44 PM sassan72 ***@***.***> wrote: Thanks Emanuel. the alpscore/2.2.0 has been installed on Compute Canada. I wrote this job to run one of ALPS example with the name of tutorial1a.py on compute Canada. here is the job file: #!/bin/bash #SBATCH --account=def-rkrems #SBATCH --time=00:20:00 #SBATCH --mem-per-cpu=1G #SBATCH --cpus-per-task=2 # number of cores #SBATCH --ntasks-per-node=1 module load python module load alpscore source /project/6006189/sassan72/ENV3/bin/activate python /project/6006189/sassan72/tutorial1a.py but I got this error. Traceback (most recent call last): File "/project/6006189/sassan72/tutorial1a.py", line 31, in import pyalps ModuleNotFoundError: No module named 'pyalps' how can I fix the job? as I told you APLScore/2.2.0 has been installed. — You are receiving this because you are subscribed to this thread. Reply to this email directly, view it on GitHub <#620 (comment)>, or unsubscribe <https://github.com/notifications/unsubscribe-auth/AB7KPIC7IF32AHFNPHANUCTRZD73LANCNFSM4OK5AG5A> .

[jpfleblanc]

Also, which computecanada system are you on? Graham? Cedar?

[sassan72]

Thanks. Cedar.

[sassan72]

you mean this one?

#!/bin/bash
#SBATCH --account=def-rkrems
#SBATCH --time=00:20:00
#SBATCH --mem-per-cpu=4G
#SBATCH --cpus-per-task=8 # number of cores
#SBATCH --ntasks-per-node=2

module load python/2.7 # python 2.7 for ALPScore
module load alpscore/2.2.0
virtualenv --no-download $SLURM_TMPDIR/env
source $SLURM_TMPDIR/env/bin/activate
pip install numpy --no-index
pip install scipy --no-index

python $SLURM_SUBMIT_DIR/tutorial1a.py

[sassan72]

if it doesn't have Python binding how can I run ALPS tutorials?

[iskakoff]

@sassan72 I am pretty sure that none of the recent developments in ALPSCore have python binding.
and also none of ALPSCore tutorials use python.

I think you mixed up it with ALPS that has python binding inside it.
The package ALPSCore-Python, that @jpfleblanc mentioned, has indeed python bindings for ALPSCore but it
seems abandoned since the last changes were made 3 years ago, while there were quite a lot of new
developments during 2017-2018 in the ALPSCore.

[sassan72]

the version of alps on compute Canada is 2.2.0. So what are you suppose me to do in order to run ALPS tutorials on compute Canada?

[egull]

ask over at http://alps.comp-phys.org/mediawiki/index.php/Main_Page . You are looking at the wrong package.

[jpfleblanc]

you should download and install alps on your local machine. no sense running tutorials by submitting a job script - unless that tutorial is precisely what you are trying to do I'd suppose.

When you type: module avail alps
on cedar, it will show: alpscore/2.2.0 (phys,D)

This is indeed the code from this repo, but it is c++ only. As emanuel said, look at alps website. Also I would recommend you check with your advisor, who i presume is Roman Krems, before submitting compute canada jobs for this purpose.

[sassan72]

Thanks. actually, I have written a python code for the directed worm algorithm. I was just curious to check my result with ALPS to make sure about it. to be honest, I used compute Canada to run python scripts with virtual environment. Thanks for your helping.