For research purpose, my team needs to use thermo_pw package for ab-initio simulations. But the issue we are running into is that we cannot find a way to install it on our computer. We are using windows as our operating system.

Thermo_pw website says that it is made for linux operating systems but it may work on other OS as well.

enter image description here

We have tried to install it using Gfortran for windows but it didn't work out.

  • 3
    $\begingroup$ +1 But please mention what settings, commands, version and package of the compiler that you have used and what error message you got. From a quick read of the thermo_pw page, it seems that it needs quantum espresso installed. Do you have that on your computer? $\endgroup$
    – S R Maiti
    May 3, 2021 at 9:00
  • 3
    $\begingroup$ For future reference, I've always just set up a virtual machine in such cases. $\endgroup$
    – user430
    May 7, 2021 at 14:13
  • 4
    $\begingroup$ The usual solution to this problem nowadays is to install the windows subsytem for linux and install the linux version that way. You can run a full-fledged linux OS natively on windows with WSL. It will have better performance than running in a virtual machine. I don't know exactly what Thermo_pw does, but it sounds like it interacts with quantum espresso. You will probably have to install quantum espresso in WSL as well to make this work. $\endgroup$
    – jheindel
    May 8, 2021 at 0:27
  • $\begingroup$ In the absence of any response to Shoubhik's questions, this question may get closed for needing more detail/clarity. It can always be re-opened if the question is edited. $\endgroup$ Jun 11, 2021 at 23:36
  • $\begingroup$ @isentropiccompression, The reason I was asking for the compiler and error messages is that those can point to the issues which prevent the software from running. I have done some linux to windows code porting in the past, and most of the times, it is quite easy (to decide if it can be ported) after seeing the error messages. (If you have managed to run the program on your own, then also feel free to post that as an answer) $\endgroup$
    – S R Maiti
    Jun 12, 2021 at 18:56

1 Answer 1


This part of your question body:

"Thermo_pw website says that it is made for linux operating systems but it may work on other OS as well."

indicates to me that the authors of the software do not guarantee that it will work on Windows. However Windows 10 actually comes with a Linux (Ubuntu) subsystem called WSL (Windows subsystem for Linux), which was mentioned in jheindel's comment, and also in the answers and their comments here and here.

Specifically, follow these instructions to get the Ubuntu subsystem running on Windows 10, then install thermo_pw on it by following the instructions for installing this software with Linux. Sooner or later you will need to use Linux for something, if you intend to go far with Matter Modeling, so this may be a good first step for you!


You must log in to answer this question.

Not the answer you're looking for? Browse other questions tagged .