Crispy Not Working

Question

Crispy Not Working

WilliamJudge94 opened this issue 3 years ago · comments

Will commented 3 years ago

I have tried to install Crispy onto a new machine. Both the GUI and the Notebook versions.

No matter what I do I am unable to get either version to calculate spectra.

My steps to install:

Create a new conda env conda create -n crisp python=3.7
activate env source activate crisp
install env to jupyter pip install ipykernel ipython kernel install --user --name=crisp
install slix pip install slix[full]
install crispy pip3 install --upgrade crispy==2020.1rc0 (the only version that I have gotten close to working with Notebooks
download Quanty from their website
make Quanty executable chmod 777 Quanty
set Quanty path in GUI by using the GUI
set Quanty path in scripts by path variable in /crispy/gui/quanty/calculations.py - def executablePath function to the path of Quanty

I cannot seem to get any simulation results. And when using the GUI, after I hit run the only thing the program shows is Quanty has stopped

Will · Answer 1 · Wed Jun 09 2021 05:47:49 GMT+0800 (China Standard Time)

System -

Ubuntu 20.04
CPU - Threadripper Pro
GPU - Nvidia P2200

Will · Answer 2 · Wed Jun 09 2021 11:28:47 GMT+0800 (China Standard Time)

After running Quanty separately with the crispy generated .lua file I was able to get an error code of Illegal instruction (core dumped). I am unsure if this is an Ubuntu 20.04 issue or a Threadripper Pro issue.

Marius Retegan · Answer 3 · Wed Jun 30 2021 14:57:47 GMT+0800 (China Standard Time)

@WilliamJudge94 Could you please me the Lua file?

Will · Answer 4 · Wed Jun 30 2021 23:54:35 GMT+0800 (China Standard Time)

Github wouldn't let me upload the .lua file as it. I had to change the extension to .txt to upload it.
The attached file runs perfectly fine on an AMD 1700x or an old Intel Core Duo. No issues at all. But if I:
a) either download a new Quanty or Move the AMD 1700x machine's Quanty to the AMD Threadripper Pro
b) use the exact same .lua file on both AMD 1700x and AMD Threadripper Pro

The AMD Threadripper Pro still errors out with "Illegal Instruction (core dumped)"

Ni2+_Oh_XAS_2p.txt

Marius Retegan · Answer 5 · Thu Jul 01 2021 16:31:51 GMT+0800 (China Standard Time)

The issue might be with the way Quanty is compiled. I will try to find an AMD machine to make a new binary.

Will · Answer 6 · Sat Jul 03 2021 01:19:39 GMT+0800 (China Standard Time)

If you would like I can try to compile the binary on my AMD Threadripper Pro to see if that fixes the issue? Then send back the new binary file.

Marius Retegan · Answer 7 · Mon Jul 05 2021 17:31:19 GMT+0800 (China Standard Time)

@WilliamJudge94 I've compiled Quanty on an AMD EPYC machine. Could you please try with the binary from this page https://cloud.esrf.fr/s/z944SgTtZZtkm3x.

Will · Answer 8 · Mon Jul 05 2021 22:02:13 GMT+0800 (China Standard Time)

This worked!!! Thank you so much!

Will · Answer 9 · Mon Jul 05 2021 22:04:37 GMT+0800 (China Standard Time)

As a small side note to anyone else trying to use this version of Quanty. You must first change the file permissions by running chmod -R 777 Quanty inside the directory where Quanty was saved.

Marius Retegan · Answer 10 · Tue Jul 06 2021 16:04:29 GMT+0800 (China Standard Time)

@WilliamJudge94 Glad to hear it worked. For the next release, I will do a few tests to make sure that the version included in the package is compatible with more recent platforms.