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Message 48544 - Posted: 29 Dec 2017 | 16:12:12 UTC

Hi!

I just saw that there are a few WUs of the Quantum Chemistry app are available and wanted to try them out on my Linux VM, but all I get is "no work from app".
Though the amount of work is still visible on the server status and slowly decreasing, why can't I get any? Are they done internally?
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Message 48545 - Posted: 29 Dec 2017 | 16:50:59 UTC

Hi!

I, instead of Toni, am currently running a small amount of WUs to see if everything performs as expected and if we can slowly start to roll out the amount of WUs I prepared for this project. I was sending the WUs with a high priority setting, but don't worry, if everything works as expected there will be lots of WUs!
I will tell you more about me and the project very soon, so stay tuned and thanks for the help!

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Message 48546 - Posted: 29 Dec 2017 | 17:08:00 UTC

Ah okay, thanks for the quick answer!
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Message 48547 - Posted: 29 Dec 2017 | 17:20:27 UTC

If I may ask that, when will the Windows OS based Quantum Chemistry Tasks be ready?
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Message 48564 - Posted: 31 Dec 2017 | 7:34:55 UTC - in response to Message 48545.


I will tell you more about me and the project very soon, so stay tuned and thanks for the help!


Awesome!

I personally look forward to this.

Have a happy new year to you and the team. Happy new year to the crunchers too.
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Message 48568 - Posted: 31 Dec 2017 | 18:10:21 UTC - in response to Message 48545.

I will tell you more about me and the project very soon, so stay tuned and thanks for the help!

Hello Dominik! Welcome to GPUGrid! Are you a new PhD student?

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Message 48604 - Posted: 4 Jan 2018 | 13:30:48 UTC

I saw that there finally is enough work to start crunching on the quantum app, but it looks like there is something wrong with it, until now every wu crashes after some minutes. Example here.
I'm not sure if the problem is on my side or yours.
It seems like something is wrong with gcc-5-5, if I understand that right, but I can't update my system with that, seems not to be existent.
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Message 48606 - Posted: 4 Jan 2018 | 13:49:21 UTC

Hey,

If I may ask that, when will the Windows OS based Quantum Chemistry Tasks be ready?


Hello Dominik! Welcome to GPUGrid! Are you a new PhD student?



I made a small announcement in the news sections for this :)




It seems like something is wrong with gcc-5-5, if I understand that right, but I can't update my system with that, seems not to be existent.


Have you tried out:


sudo apt-get install gcc-5 g++-5

?

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Message 48607 - Posted: 4 Jan 2018 | 14:01:54 UTC - in response to Message 48606.

Have you tried out:


sudo apt-get install gcc-5 g++-5

?

Tried that now, but also doesn't work.
I only get "command not found".
I guess this doesn't work with my old distribution anymore, I have openSuse 13.1 in a VM, and as far as I got aware, 13.1 is not supported anymore.
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Message 48609 - Posted: 4 Jan 2018 | 14:13:03 UTC

I have not that much experience with OpenSuse, but i found the following page which seems to have a version for 13.1

For the gcc5 package:
https://software.opensuse.org/download.html?project=devel%3Agcc&package=gcc5

And for the g++ package the following command:

zypper in gcc-c++


I hope it helps!

Sadly due to the quantum chemistry framework version that we need for our tasks we cannot do much about the gcc version. It is really the most annoying part about this.

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Message 48611 - Posted: 4 Jan 2018 | 14:23:18 UTC - in response to Message 48609.
Last modified: 4 Jan 2018 | 14:23:44 UTC

Wow, thank you very much for that, wouldn't have found it. I tried to install that now.
Not sure if it really worked, it gave me some dependency errors but the installation seemed to have worked somehow.
Unfortunately I can't test if it works now, the faulty work units reduced my daily quota to 1 and I can't get any work for today anymore. Should have stopped it earlier, totally forgot it, ouch...
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Message 48612 - Posted: 4 Jan 2018 | 15:26:12 UTC - in response to Message 48606.

Hey,

If I may ask that, when will the Windows OS based Quantum Chemistry Tasks be ready?


Hello Dominik! Welcome to GPUGrid! Are you a new PhD student?



I made a small announcement in the news sections for this :)




It seems like something is wrong with gcc-5-5, if I understand that right, but I can't update my system with that, seems not to be existent.


Have you tried out:


sudo apt-get install gcc-5 g++-5

?


That is for debian based distros. I used it on Mint 17.

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Message 48628 - Posted: 5 Jan 2018 | 7:49:13 UTC
Last modified: 5 Jan 2018 | 7:49:41 UTC

Well, looks like the above mentioned method didn't work, the first tasks I had some minutes ago errored out also.
But obviously I made a mistake on searching the correct library over the Yast-installation, now I found gcc5, installed it and it finally seems to work, the current task already went over the "magic line" of 4-5 minutes! :-)
That aside, I'm not sure if it's the VM but I notice a bit more HD activity and network connection since the task runs smoothly. Does it need data from your servers?
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Message 48629 - Posted: 5 Jan 2018 | 8:53:42 UTC

Good to hear that it seems to work!

That aside, I'm not sure if it's the VM but I notice a bit more HD activity and network connection since the task runs smoothly. Does it need data from your servers?


Besides getting the WU and setting up the environment I am not aware of additional things that are needed from the server, at least from my side. But I'm also very new to GPUGrid, maybe Toni knows better.

Moreover, during the execution of the simulations in the WU logfiles are written, maybe now that you are finally able to run the simulations it started actually logging stuff, I think this is where the additional HD activity comes from.

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Message boards : Number crunching : Not getting quantum chemistry work