Hello Matt. Thank you for your help. I solved my problem through your comments. Your larch code in python gives me a great opportunity to build a new system. Thank you again and have a great trip :) 2024년 2월 4일 (일) 오전 12:59, Matt Newville 님이 작성:

Hi Eun-Suk,

Sorry for the trouble. I think this should have worked with 0.9.74, but I also know that I already changed that section of code to avoid similar problems. It should work to do python -m pip install

https://millenia.cars.aps.anl.gov/xraylarch/downloads/xraylarch-latest-py3-n...

I think this is a pretty stable version, but I still have a small list of things I would like to improve before releasing 0.9.75. I have not had a lot of time in January for coding and will be traveling for the next couple of weeks, but talking about software a lot during that time ;).

Hope that helps, and thanks for your patience.

On Fri, Feb 2, 2024 at 4:06 PM 정은석 wrote:

...

Hello~

I used Larch 0.9.71. until now. However, I would like to update larch

and I reinstall anaconda and larch.

...

I installed Larch 0.9.74. as following installation guide I didn't have any problems during the installation process. However, I faced problems during feffit fitting. Before, I used feffit fitting in larch 0.9.71., and then I hadn't had any problems.

I only changed larch as new version. What am I doing?

When I run feffit fitting, I have debugs as the below:

...

File "c:\Users\Administrator\Desktop\RL\feffit_error_test\test-feffit.py", line 51, in <module> out = feffit(pars, dset) ^^^^^^^^^^^^^^^^^^ File "C:\ProgramData\anaconda3\envs\xraylarch\Lib\site-packages\larch\xafs\feffit.py",

------------------------------------------------------------------------------------------------------------------------- line 645, in feffit

...

ds.prepare_fit(params=params, other_hashkeys=dset_hashkeys) File

"C:\ProgramData\anaconda3\envs\xraylarch\Lib\site-packages\larch\xafs\feffit.py", line 374, in prepare_fit

...

self._generate_hashkey(other_hashkeys=other_hashkeys) File

"C:\ProgramData\anaconda3\envs\xraylarch\Lib\site-packages\larch\xafs\feffit.py", line 291, in _generate_hashkey

...

dat = [self.data.ek0, self.data.e0, self.data.rbkg] ^^^^^^^^^^^^^ AttributeError: 'Group' object has no attribute 'ek0'

----------------------------------------------------------------------------------------------------------------------

...

-- Best regards,

Ph. D. Eun-Suk Jeong X-ray absorption fine structure(EXAFS+XANES) Mobile:+82-10-4628-9896

_______________________________________________ Ifeffit mailing list Ifeffit@millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit Unsubscribe: http://millenia.cars.aps.anl.gov/mailman/options/ifeffit

-- --Matt Newville <newville at cars.uchicago.edu> 630-327-7411

_______________________________________________ Ifeffit mailing list Ifeffit@millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit Unsubscribe: http://millenia.cars.aps.anl.gov/mailman/options/ifeffit

-- Best regards, Ph. D. Eun-Suk Jeong X-ray absorption fine structure(EXAFS+XANES) Mobile:+82-10-4628-9896

Hi Eun-Suk, All the examples with ff2chi and running feffit work for me. I sort of don't understand how that could happen (a FeffPathGroup does -- or should -- have a `dataset` attribute). Can you provide an example that shows the problem? --Matt

Hello Matt. I think that you need some time to fix the 'multi-processing problem of 0. 9.74'. If you take a little long time to fix it, can you send me xraylarch version 0.9.71? or could you inform me of the site of the old version? I will reinstall xraylarch with it. Thank you for your effort and contribution 2024년 2월 5일 (월) 오후 5:09, 정은석 님이 작성:

Hello Matt

I changed my original code to simple code for you as below. I found the problem of larch 0.9.74 in multi-processing. You can check it with the below code. How can I fix this problem?

------------------------------------------------------------------------------------------------------------ ############# Multi-processing test ######################## import larch from larch import Group from larch.utils import * from larch.xafs import * from larch.io import *

import numpy as np import os import torch.multiprocessing as mp

dPath = r'C:\Users\Administrator\Desktop\RL\feffit_error_test' os.chdir(dPath) fname1 = 'feff0001.dat' # N=1, Reff=1.9 N

path1 = feffpath(os.path.join(dPath,'FEFF1', fname1)) ################################# path_lists=[path1] path_lists[0].s02=0.86 ################################################

class Func(): def __init__(self, path_lists): self.path_lists=path_lists

def step(self): self.path_lists[0].e0, self.path_lists[0].degen, self.path_lists[0].deltar, self.path_lists[0].sigma2 = [2, 5, 0.001, 0.004] ## Theory path들의 합과 theory FFT theory_sum=Group(label='theory_group_sum') ff2chi(self.path_lists, group=theory_sum) new_state=theory_sum.chi return new_state

class TestClass(): def __init__(self, path_lists): self.path_lists=path_lists

def test(self): func1 = Func(self.path_lists) s=func1.step() ############################################

T_func=TestClass(path_lists) F_func=Func(path_lists)

if __name__ == '__main__': process_list=[] p_N =mp.Process(target=T_func.test,) p_N.start() process_list.append(p_N) for process in process_list: process.join() ################################################################## #####Problem########## File "C:\ProgramData\anaconda3\envs\xraylarch\Lib\multiprocessing\process.py", line 314, in _bootstrap self.run() File "C:\ProgramData\anaconda3\envs\xraylarch\Lib\multiprocessing\process.py", line 108, in run self._target(*self._args, **self._kwargs) File "c:\Users\Administrator\Desktop\RL\feffit_error_test\test-ff2chi-problem.py", line 40, in test s=func1.step() ^^^^^^^^^^^^ File "c:\Users\Administrator\Desktop\RL\feffit_error_test\test-ff2chi-problem.py", line 30, in step ff2chi(self.path_lists, group=theory_sum) File "C:\ProgramData\anaconda3\envs\xraylarch\Lib\site-packages\larch\xafs\feffdat.py", line 658, in ff2chi path.create_path_params(params=params) File "C:\ProgramData\anaconda3\envs\xraylarch\Lib\site-packages\larch\xafs\feffdat.py", line 392, in create_path_params parname = self.pathpar_name(pname) ^^^^^^^^^^^^^^^^^^^^^^^^ File "C:\ProgramData\anaconda3\envs\xraylarch\Lib\site-packages\larch\xafs\feffdat.py", line 331, in pathpar_name return f'{parname}_{self.dataset}_{self.hashkey}' ^^^^^^^^^^^^ AttributeError: 'FeffPathGroup' object has no attribute 'dataset'

2024년 2월 5일 (월) 오전 4:44, Matt Newville 님이 작성:

...

Hi Eun-Suk,

All the examples with ff2chi and running feffit work for me. I sort of don't understand how that could happen (a FeffPathGroup does -- or should -- have a `dataset` attribute).

Can you provide an example that shows the problem?

--Matt _______________________________________________ Ifeffit mailing list Ifeffit@millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit Unsubscribe: http://millenia.cars.aps.anl.gov/mailman/options/ifeffit

-- Best regards,

Ph. D. Eun-Suk Jeong X-ray absorption fine structure(EXAFS+XANES) Mobile:+82-10-4628-9896

-- Best regards, Ph. D. Eun-Suk Jeong X-ray absorption fine structure(EXAFS+XANES) Mobile:+82-10-4628-9896

Hello Matt Thank you for your kindness. I simplified the ff2chi problem in multiprocessing. I found that the ff2chi problem in multiprocessing is caused by receiving the arguments in an object (TestClass). For instance The below code works in multiprocessing --------------------------------------------- class TestClass(): def __init__(self, out_path_lists): self.path_lists=out_path_lists def test(self): path1 = feffpath(os.path.join(dPath,'FEFF1', fname1)) path_lists=[path1] theory_sum=Group(label='theory_group_sum') ff2chi(path_lists, group=theory_sum) new_state=theory_sum.ch However, If I change ff2chi(path_lists, group=theory_sum) to* ff2chi(self.path_lists, group=theory_sum*), the ff2chi problem is caused. Finally, I want to use multiprocessing. The xraylarch you sent does not work in multiprocessing. If you are possible, please send me larch 0.9.71 to reinstall 2024년 2월 7일 (수) 오전 7:37, Matt Newville 님이 작성:

Hi Eun-Suk,

Did you do python -m pip install

https://millenia.cars.aps.anl.gov/xraylarch/downloads/xraylarch-latest-py3-n...

? That will install the development version (later than 0.9.74, not yet 0.9.75, sorry for that delay). This works for me:

from larch.xafs import feffpath p1 = feffpath('feff0001.dat', e0=-1, sigma2=0.010) p1.s02 = 0.95 dat = ff2chi([p1])

I don't know of any multiprocessing problem...

Cheers,

On Tue, Feb 6, 2024 at 11:05 PM 정은석 wrote:

...

Hello Matt.

I think that you need some time to fix the 'multi-processing problem of

0. 9.74'. If you take a little long time to fix it, can you send me xraylarch version 0.9.71? or could you inform me of the site of the old version?

...

I will reinstall xraylarch with it.

Thank you for your effort and contribution

2024년 2월 5일 (월) 오후 5:09, 정은석 님이 작성:

...

Hello Matt

I changed my original code to simple code for you as below. I found the problem of larch 0.9.74 in multi-processing. You can check it with the below code. How can I fix this problem?

---

...

...

############# Multi-processing test ######################## import larch from larch import Group from larch.utils import * from larch.xafs import * from larch.io import *

import numpy as np import os import torch.multiprocessing as mp

dPath = r'C:\Users\Administrator\Desktop\RL\feffit_error_test' os.chdir(dPath) fname1 = 'feff0001.dat' # N=1, Reff=1.9 N

path1 = feffpath(os.path.join(dPath,'FEFF1', fname1)) ################################# path_lists=[path1] path_lists[0].s02=0.86 ################################################

class Func(): def __init__(self, path_lists): self.path_lists=path_lists

def step(self): self.path_lists[0].e0, self.path_lists[0].degen, self.path_lists[0].deltar, self.path_lists[0].sigma2 = [2, 5, 0.001, 0.004] ## Theory path들의 합과 theory FFT theory_sum=Group(label='theory_group_sum') ff2chi(self.path_lists, group=theory_sum) new_state=theory_sum.chi return new_state

class TestClass(): def __init__(self, path_lists): self.path_lists=path_lists

def test(self): func1 = Func(self.path_lists) s=func1.step() ############################################

T_func=TestClass(path_lists) F_func=Func(path_lists)

if __name__ == '__main__': process_list=[] p_N =mp.Process(target=T_func.test,) p_N.start() process_list.append(p_N) for process in process_list: process.join() ################################################################## #####Problem########## File "C:\ProgramData\anaconda3\envs\xraylarch\Lib\multiprocessing\process.py", line 314, in _bootstrap self.run() File "C:\ProgramData\anaconda3\envs\xraylarch\Lib\multiprocessing\process.py", line 108, in run self._target(*self._args, **self._kwargs) File "c:\Users\Administrator\Desktop\RL\feffit_error_test\test-ff2chi-problem.py", line 40, in test s=func1.step() ^^^^^^^^^^^^ File "c:\Users\Administrator\Desktop\RL\feffit_error_test\test-ff2chi-problem.py", line 30, in step ff2chi(self.path_lists, group=theory_sum) File "C:\ProgramData\anaconda3\envs\xraylarch\Lib\site-packages\larch\xafs\feffdat.py", line 658, in ff2chi path.create_path_params(params=params) File "C:\ProgramData\anaconda3\envs\xraylarch\Lib\site-packages\larch\xafs\feffdat.py", line 392, in create_path_params parname = self.pathpar_name(pname) ^^^^^^^^^^^^^^^^^^^^^^^^ File "C:\ProgramData\anaconda3\envs\xraylarch\Lib\site-packages\larch\xafs\feffdat.py", line 331, in pathpar_name return f'{parname}_{self.dataset}_{self.hashkey}' ^^^^^^^^^^^^ AttributeError: 'FeffPathGroup' object has no attribute 'dataset'

2024년 2월 5일 (월) 오전 4:44, Matt Newville 님이 작성:

...

Hi Eun-Suk,

All the examples with ff2chi and running feffit work for me. I sort of don't understand how that could happen (a FeffPathGroup does -- or should -- have a `dataset` attribute).

Can you provide an example that shows the problem?

--Matt _______________________________________________ Ifeffit mailing list Ifeffit@millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit Unsubscribe: http://millenia.cars.aps.anl.gov/mailman/options/ifeffit

-- Best regards,

Ph. D. Eun-Suk Jeong X-ray absorption fine structure(EXAFS+XANES) Mobile:+82-10-4628-9896

-- Best regards,

Ph. D. Eun-Suk Jeong X-ray absorption fine structure(EXAFS+XANES) Mobile:+82-10-4628-9896

_______________________________________________ Ifeffit mailing list Ifeffit@millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit Unsubscribe: http://millenia.cars.aps.anl.gov/mailman/options/ifeffit

-- --Matt Newville <newville at cars.uchicago.edu> 630-327-7411

_______________________________________________ Ifeffit mailing list Ifeffit@millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit Unsubscribe: http://millenia.cars.aps.anl.gov/mailman/options/ifeffit

-- Best regards, Ph. D. Eun-Suk Jeong X-ray absorption fine structure(EXAFS+XANES) Mobile:+82-10-4628-9896