Author Topic: QuantumATK2019 won't open on Linux(mint) on VirtualBox  (Read 164 times)

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Offline hadi9827

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QuantumATK2019 won't open on Linux(mint) on VirtualBox
« on: November 11, 2020, 13:44 »
Hello,
I installed Linux(mint) on VirtualBox on my Laptop. Then I installed the QuantumATK2019 on Linux(mint), but after installation I can not open it and when I try to open it nothing happens. Would you please help me with this problem?
Thank you very much in advance.
Best regards,
Hadi
P.S. I am a quite new Linux user so I will be so thankful if you consider this and give me instructions in details. Thanks again :)

Offline hadi9827

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Re: QuantumATK2019 won't open on Linux(mint) on VirtualBox
« Reply #1 on: November 12, 2020, 09:22 »
Is anyone able to help me with this please? My work has stopped because of this problem :(

Offline Jess Wellendorff

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Re: QuantumATK2019 won't open on Linux(mint) on VirtualBox
« Reply #2 on: November 12, 2020, 09:53 »
Hi Hadi. When you say "open it", do you mean opening the NanoLab GUI (quantumatk binary)? Did you try running atkpython from Terminal? And do you have a license server running?

Offline hadi9827

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Re: QuantumATK2019 won't open on Linux(mint) on VirtualBox
« Reply #3 on: November 12, 2020, 10:31 »
Thank you very much for your response. I downloaded the bin file and installed it.  I click on the ATK icon on my desktop and nothing happens. It even doesn't ask for license information. No pop-up after finishing the installation. Please find the attachment.
I am looking to your response.
Thanks again

Offline hadi9827

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Re: QuantumATK2019 won't open on Linux(mint) on VirtualBox
« Reply #4 on: November 12, 2020, 10:46 »
Another problem and another way to solve my problem:

Actually I have been a windows ATK user. I have it on windows and I prefer to use it on windows. The problem is this:
I create a script with the ATK on windows and save it as a .py file. Then I want to run this .py file on the ATK on our department cluster and it gives some errors like it doesn't recognize some commands in the .py file. However, the cluster doesn't have any problem with the input files (.py) made by linux version of ATK! So I assumed I have to switch to linux version of ATK on my system. Actually, If I can solve the problem of running .py files made by windows version of ATK on the ATK on the cluster, I wont need to install the linux version. Why the ATK on the cluster cannot run the .py file made by my ATK on windows properly?!
Sorry for the long story!
THANKS

Offline filipr

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Re: QuantumATK2019 won't open on Linux(mint) on VirtualBox
« Reply #5 on: November 13, 2020, 10:57 »
Hi Hadi,

The icon on your desktop is a shortcut, i.e. a .desktop file. It should work on most common Linux distributions, but we have not tested it on Mint Linux.

Can you try to open a terminal and lauch QuantumATK from there? You would usually do:

Code: [Select]
$> /home/USERNAME/QuantumATK/QuantumATK-VERSION/bin/quantumatk

with USERNAME and VERSION matching your setup.

If this works, the program runs fine but something is wrong with the shortcut file. You can create your own shortcut file (see e.g. https://forums.linuxmint.com/viewtopic.php?t=269281), which can also be installed system-wide using the xdg-desktop-icon(https://linux.die.net/man/1/xdg-desktop-icon) and the xdg-desktop-menu(https://linux.die.net/man/1/xdg-desktop-menu) tools - these are the ones the installer tries to install shortcuts with.

Offline filipr

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Re: QuantumATK2019 won't open on Linux(mint) on VirtualBox
« Reply #6 on: November 13, 2020, 11:01 »
Also, there should be no problem running a .py file created on Windows and running it on Linux - it is just a text file with a Python script. The reason why it may say some Python commands are unknown may be if the version of QuantumATK installed on your cluster is different from the version you have on your Windows machine.

Please tell us which versions you are using on your Windows machine and on your cluster and show us the error messages you get when you try to run your job.

Offline hadi9827

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Re: QuantumATK2019 won't open on Linux(mint) on VirtualBox
« Reply #7 on: November 13, 2020, 13:21 »
Thank you very much for your response. The problem with linux has been solved but the other problem is remained.
Both ATK on my windows and on the cluster are 2019 release. I attached the .py file and the error please find the attachment.
Thank you again.

Offline hadi9827

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Re: QuantumATK2019 won't open on Linux(mint) on VirtualBox
« Reply #8 on: November 18, 2020, 09:14 »
Nobody to help me with this please???