Message boards : Number crunching : Not getting quantum chemistry work
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Hi! | |
ID: 48544 | Rating: 0 | rate: / Reply Quote | |
Hi! | |
ID: 48545 | Rating: 0 | rate: / Reply Quote | |
Ah okay, thanks for the quick answer! | |
ID: 48546 | Rating: 0 | rate: / Reply Quote | |
If I may ask that, when will the Windows OS based Quantum Chemistry Tasks be ready? | |
ID: 48547 | Rating: 0 | rate: / Reply Quote | |
Awesome! I personally look forward to this. Have a happy new year to you and the team. Happy new year to the crunchers too. ____________ Cruncher/Learner in progress. | |
ID: 48564 | Rating: 0 | rate: / Reply Quote | |
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? | |
ID: 48568 | Rating: 0 | rate: / Reply Quote | |
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. | |
ID: 48604 | Rating: 0 | rate: / Reply Quote | |
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 ? | |
ID: 48606 | Rating: 0 | rate: / Reply Quote | |
Have you tried out: 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. ____________ Member of BOINC@Heidelberg and ATA! | |
ID: 48607 | Rating: 0 | rate: / Reply Quote | |
I have not that much experience with OpenSuse, but i found the following page which seems to have a version for 13.1 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. | |
ID: 48609 | Rating: 0 | rate: / Reply Quote | |
Wow, thank you very much for that, wouldn't have found it. I tried to install that now. | |
ID: 48611 | Rating: 0 | rate: / Reply Quote | |
Hey, That is for debian based distros. I used it on Mint 17. | |
ID: 48612 | Rating: 0 | rate: / Reply Quote | |
Well, looks like the above mentioned method didn't work, the first tasks I had some minutes ago errored out also. | |
ID: 48628 | Rating: 0 | rate: / Reply Quote | |
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. | |
ID: 48629 | Rating: 0 | rate: / Reply Quote | |
Message boards : Number crunching : Not getting quantum chemistry work