ltalirz

Attaching to renga_deployer_1, renga_graph-mutation_1, renga_explorer_1, renga_projects_1, renga_graph-init_1, renga_storage_1, renga_resource-manager_1, renga_graph-typesystem_1, renga_graph-navigation_1, renga_cassandra_1, renga_ui_1, renga_keycloak_1, renga_apispec_1, renga_db_1, renga_swagger_1, renga_reverse-proxy_1
graph-mutation_1    | SLF4J: Class path contains multiple SLF4J bindings.
graph-mutation_1    | SLF4J: Found binding in [jar:file:/opt/docker/lib/ch.qos.logback.logback-classic-1.1.7.jar!/org/slf4j/impl/StaticLoggerBinder.class]
graph-mutation_1    | SLF4J: Found binding in [jar:file:/opt/docker/lib/org.slf4j.slf4j-log4j12-1.7.12.jar!/org/slf4j/impl/StaticLoggerBinder.class]
graph-mutation_1    | SLF4J: See http://www.slf4j.org/codes.html#multiple_bindings for an explanation.
graph-mutation_1    | SLF4J: Actual binding is of type [ch.qos.logback.classic.util.ContextSelectorStaticBinder]
graph-mutation_1    | Oops, cannot start the server.

ltalirz

alabaster==0.7.10
appnope==0.1.0
ase==3.14.1
asetk==0.3.0
asn1crypto==0.22.0
aspy.yaml==1.0.0
astroid==1.5.3
Babel==2.3.4
beautifulsoup4==4.6.0
bleach==1.5.0

ltalirz

ltalirz

$ ./scripts/setup
Cache cleared
Destroying database postgresql+psycopg2://mc-archive:mc-archive@localhost/mc-archive
Creating database postgresql+psycopg2://mc-archive:mc-archive@localhost/mc-archive
Creating all tables!
  [#-----------------------------------]    5% Creating table access_actionssystemroles
  [###---------------------------------]   10% Creating table accounts_role
  [#####-------------------------------]   15% Creating table accounts_user
  [#######-----------------------------]   20% Creating table oaiserver_set
  [#########---------------------------]   25% Creating table pidstore_pid

ltalirz

{
    "$schema": "http://json-schema.org/draft-07/schema",
    "$id": "http://example.com/example.json",
    "type": "object",
    "title": "JSON schema for the metadata.json file of the AiiDA archive format",
    "description": "The metadata.json stores information on the version of the archive format and how the archive file was created.",
    "required": [
        "export_version",
        "aiida_version",
        "all_fields_info",

ltalirz

6560593              aiida-186032       /scratch/ongari/aiida_run/69/05/fe82-4790-4313-901a-399c68da4a14 
6560594              aiida-186032       /scratch/ongari/aiida_run/69/05/fe82-4790-4313-901a-399c68da4a14 
6560596              aiida-186032       /scratch/ongari/aiida_run/69/05/fe82-4790-4313-901a-399c68da4a14 
6561394              aiida-187432       /scratch/ongari/aiida_run/75/52/bd3a-58ce-45ef-9359-717676185832 
6561395              aiida-187431       /scratch/ongari/aiida_run/36/7b/2005-83ae-4ea2-9f08-75b247d77f5a 
6561399              aiida-187432       /scratch/ongari/aiida_run/75/52/bd3a-58ce-45ef-9359-717676185832 
6561403              aiida-187431       /scratch/ongari/aiida_run/36/7b/2005-83ae-4ea2-9f08-75b247d77f5a 
6564360              aiida-195694       /scratch/ongari/aiida_run/cc/6b/bfc9-83cc-4d0c-a547-e0b1f27bfd47 
6564361              aiida-195686       /scratch/ongari/aiida_run/2c/b3/03fb-8db1-4fce-87ac-2099220da650 
6564362              aiida-195694       /scratch/ongari/aiida_run/cc/6

ltalirz

Why?

As of May 4th, 2021, erlang is not available from macports for the ARM (Apple Silicon) platform. Docker containers make it super easy to install postgresql and rabbitmq.

The M1 chips have great parallelism, so I'd hope to be able to run docker without noticing the overhead too much. I could use conda as well, but docker provides the neat docker-compose.yaml that makes it possible to start up and shut down all the services required with a single command.

Task

ltalirz

import time
import concurrent.futures
from tqdm import tqdm

def f(x):
    time.sleep(0.001)  # to visualize the progress
    return x**2

def run(f, my_iter):
    l = len(my_iter)

ltalirz

#!/usr/bin/env python

from pythtb import * # import TB model class
import matplotlib.pyplot as plt

lat=[[1.0]]
# one s and one p orbital (at the same site)
orb=[[0.0],[0.0]]
my_model=tb_model(1,1,lat,orb)
# p-orbital is at higher energy (2)