Error when using ab inition code

[pooja sonkar]

hello,

I have installed USPEX_10.4.1 in  our supercomputer and I use ABINIT as abinitio code.  when I run EX13 it runs and completed also but as I use to run my input file along with ABINIT , it does not work and giving some error like.. 

Error using python_uspex (line 91)

System error:   File "/home/debaratipal.rs.phy17.iitbhu/PT_USPEX/Submission/submitJob_local.py", line 38

    jobNumber = int(output.split(' ')[3])

    ^

SyntaxError: invalid syntax

 

Command executed: python3 -W ignore /home/debaratipal.rs.phy17.iitbhu/PT_USPEX/Submission/submitJob_local.py  -c "abinit < input >& out" -i 1

Error in submitJob (line 26)

Error in SubmitJobs (line 33)

Error in LocalRelaxation (line 54)

Error in EA_300 (line 13)

Error in Start (line 52)

Error in USPEX (line 39)

MATLAB:python:ExecutionError

My Question is how to open these files to see lines which corrosponds to error mentioned above,also how to modify submission folder for job submission which I used in our supercomputer as I already modified it but it doesnot work.

[Zahed]

Hello, 

I think the version of python does not match. Please make sure that you are using python 3.x.

You can also check the following, in case the problem rises not from python version.

Based on the error, maybe the "output" gets different results for you, not compatible with the command in the line 38 of your "submitJob_local.py".

For example, when submitting job in our supercomputer, the output is similar to:

Submitted batch job 51922658

So, the 4th word (3rd for python since we start from 0) is the job id and it includes only numbers. Therefore, we can take it using the line presented in "submitJob_local.py"

jobNumber = int(output.split(' ')[3])

If the output printed on the screen after submitting any job on your supercomputer is different, you need to change this line based on your machine.

** It is important to only give integer numbers to the jobNumber.

[pooja sonkar]

Thanku for your reply, 

as you say there may be the problem with python version but Ex13 had run very well with same python but with abinitio code it couldn't.

I have created a python env in my supercomputer account but my abinitio software ABINIT is actually not present in that env but is available in supercomputer and I use  it just by module load command in sumission file.Is it the wrong way to load the abinitio code or would I have to specify the  directory of abinitio code in submission file.

[Zahed]

It is enough to load it, in your job script, in "submitJob_local.py".