Commit 5229ec72 authored by Marco Govoni's avatar Marco Govoni
Browse files

Cleaned up run

parent d53944cf
......@@ -12,8 +12,9 @@ class Connection(object):
def __init__(self,emailId) :
self.output = {}
self.emailId = str(emailId)
self.restAPIgetSessionId = "http://imedevel.uchicago.edu:8000/getSessionId"
self.restAPIstopSession = "http://imedevel.uchicago.edu:8000/stopSession"
self.restAPIinit = "http://imedevel.uchicago.edu:8000/getSessionId"
self.restAPIrun = "http://imedevel.uchicago.edu:8000/runWestCode"
self.restAPIstop = "http://imedevel.uchicago.edu:8000/stopSession"
#
data = {'emailId': self.emailId ,'sessionTime':str(600)}
#
......@@ -22,7 +23,7 @@ class Connection(object):
#
response = None
try:
output = requests.post(self.restAPIgetSessionId, data=json.dumps(data))
output = requests.post(self.restAPIinit, data=json.dumps(data))
response = json.loads(output.text)
except Exception as e:
print('The Executor is not responding.',e)
......@@ -69,7 +70,99 @@ class Connection(object):
#
headers = {'Content-Type':'application/json; charset=utf-8','emailId':self.output['emailId'],'token':self.output['token']}
try:
response = requests.get(self.restAPIstopSession, headers=headers, timeout=None)
response = requests.get(self.restAPIstop, headers=headers, timeout=None)
except Exception as e:
print('The Executor is not responding.',e)
return json.loads(response.text)
return json.loads(response.text)
def run(self,executable=None,inputFile=None,outputFile=None,number_of_cores=2) :
"""runs the executable using rest api remotely..
:param executable: name of executable
:type executable: string
:param inputFile: name of input file
:type inputFile: string
:param outputFile: name of output file
:type outputFile: string
:param number_of_cores: number of cores
:type number_of_cores: int
:Example:
>>> from westpy import *
>>> connection = Connection("email@domain.com")
>>> connection.run( "pw", "pw.in", "pw.out", 3 )
>>> connection.stop()
"""
#
import json
#
download_urls = []
output_dict = {}
if executable and ("pw" in str(executable).lower() or "wstat" in str(executable).lower() or "wfreq" in str(executable).lower()) :
# set inputs
if inputFile is None:
inputFile = str(executable)+".in"
if outputFile is None:
outputFile = str(executable)+".out"
for key in self.geom.species.keys() :
download_urls.append(self.geom.species[key]["url"])
try:
output = self.__runExecutable(executable,inputFile,download_urls,number_of_cores)
output_json = json.loads(output)
if "Error" in output_json:
print("Execution failed with the following error \n",output_json['Error'])
return None
elif "JOB DONE." not in str(output_json['output']).strip():
print("MPI execution failed with the following error: \n"+str(output))
return None
output_data = str(output_json['output']).strip()
# jasonify output
if "pw" in executable:
output_dict = json.loads(output_json['output_dict'])
else:
output_dict = output_json['output_dict']
# write the output file
with open(outputFile, "w") as file :
file.write(str(output_data))
except Exception as e:
print("Session Expired! Invalid Request sent, Please recreate session and recheck your input. \n"+ e)
return None
else:
raise ValueError("Invalid Executable name")
#
print("Generated ",outputFile)
return output_dict
def __runExecutable(self,executable,input_file,download_urls,number_of_cores) :
"""Runs remotely the executable using a REST api.
"""
#
import requests
import json
# get connection output
session_values = self.getOutput()
# suck in the input file
try:
file_content = ""
with open(input_file,'r') as f :
for line in f :
file_content = file_content + line + "\\n"
except FileNotFoundError:
error = "Could not find "+ input_file + ". \n Generate input file "+ input_file +" and try again."
print(error)
return None
body = {'urls':download_urls,'file':file_content,'cmd_timeout':'600','script_type':str(executable),'no_of_cores':str(number_of_cores)}
jsondata = json.dumps(body)
jsondataasbytes = jsondata.encode('utf-8') # needs to be bytes
headers = {'Content-Type':'application/json; charset=utf-8','emailId':session_values['emailId'],'token':session_values['token']}
response = ""
try:
response = requests.post(self.restAPIrun, data = jsondataasbytes, headers=headers, timeout=None)
return response.text
except Exception as e:
print('The Executor is not responding.',e)
return None
return None
......@@ -37,7 +37,6 @@ class GroundState() :
self.kmesh = "gamma"
self.isolated = False
self.spin = {}
self.inputFile = ""
#
def setNempty(self,nempty) :
"""Sets the number of empty bands.
......@@ -179,7 +178,6 @@ class GroundState() :
#
print("")
print("Generated file: ", fname )
self.inputFile = fname
#
else :
print("Cannot generate input for QuantumEspresso, pseudo are not upf.")
......@@ -349,4 +347,4 @@ class GroundState() :
except Exception as e:
print('The West Rest API response to longer than usual, Please try again later',e)
return None
return None
\ No newline at end of file
return None
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