Error while Executing "Make all" code for Quantum Espresso in Colab

  • #1
benagastov
8
0
TL;DR Summary
There are some tutorials showing how to install and run Quantum Espresso in both Ubuntu and Google Colab. It seems work fine months ago, now it always show some error and pw.x isn't compiled
Good evening,

Now I start learning Quantum Espresso and I tried to install it on Google Colab, since I already get convenient and its my habit to do all computation in Physics using google Colab. Sometimes I rent cloud gpu if I need bigger RAM and GPU when I have heavy load. You can see the colab here: https://colab.research.google.com/drive/1Ntt-uhYk3yGdtEHfHdP4Crbb_H3jaCCn?usp=sharing

It seems like Google Colab had problem with symbolic link, but it also seems because some libraries already installed. You can see the output error under the Colab's code in the beginning.

Meanwhile in the end, there are so many error when I tried to make file for Quantum Espresso, no matter I tried to install different versions of Quantum Espresso. The error still there.
 
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  • #2
It's pretty common to run into issues with the Colab virtual machine environment. Just last week I was trying to install Selenium on Colab and it just wouldn't work. Google locks down what you can do. It's likely best to run this locally or run in an instance like Google Run or Amazon EC2.
 
  • Informative
Likes berkeman

1. What is the "Make all" code in Quantum Espresso?

The "Make all" code is a command used in the Quantum Espresso software package to compile and build all of the necessary executable files for running calculations. It is typically used after making changes to the source code or when setting up the software for the first time.

2. Why am I getting an error while executing the "Make all" code in Colab?

There could be several reasons for this error. Some common causes include incorrect installation of Quantum Espresso, missing dependencies, or issues with the code itself. It is important to carefully follow the installation instructions and check for any errors in the code.

3. How can I troubleshoot the "Make all" error in Colab?

To troubleshoot the error, you can check the error message to see if it provides any specific information about the issue. You can also try running the code step by step to identify where the error is occurring. Additionally, you can search for solutions online or seek help from the Quantum Espresso community.

4. Can I use Quantum Espresso in Colab without running the "Make all" code?

It is possible to use Quantum Espresso in Colab without compiling the code, but it may limit the functionality of the software. The "Make all" code is necessary for compiling the necessary files and libraries for running calculations, so it is recommended to use it for optimal performance.

5. How can I prevent errors while executing the "Make all" code in Colab?

To prevent errors, make sure to carefully follow the installation instructions for Quantum Espresso and check for any missing dependencies. It is also important to use the correct version of Colab and double-check the code for any errors before running the "Make all" command.

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