Hi,
The output of nvidia-smi shows that about 2GB per GPU is used, which was the same for me.
At this point it is difficult to investigate further since I can not reproduce your problem. Nevertheless, a suggestion would be to use a more recent version of the nvidia compiler. You use 21.9, while in our case it is 22.2. Maybe you could ask the technician to upgrade to 22.2.
AIMD Calculations terminate after a short time
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Re: AIMD Calculations terminate after a short time
Hello,
Thanks a lot for the suggestion. I will ask our technician to see whether it improves the situation and I will update this post if it works.
By the way, I think there is a very similar issue in the forum(forum/viewtopic.php?f=3&t=18493) and the problem was not resolved. Therefore, probably it is not a rare issue. In that case, it seems, on your side, you also couldn't reproduce the issue.
Thank you again for all the help in the past few days. I really appreciate your kind help.
Best,
Xiliang
Thanks a lot for the suggestion. I will ask our technician to see whether it improves the situation and I will update this post if it works.
By the way, I think there is a very similar issue in the forum(forum/viewtopic.php?f=3&t=18493) and the problem was not resolved. Therefore, probably it is not a rare issue. In that case, it seems, on your side, you also couldn't reproduce the issue.
Thank you again for all the help in the past few days. I really appreciate your kind help.
Best,
Xiliang
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Re: AIMD Calculations terminate after a short time
More users are reporting a similar issue:
https://www.vasp.at/forum/viewtopic.php?f=3&t=18493 (that you pointed out in the previous post)
https://www.vasp.at/forum/viewtopic.php?f=4&t=18736
https://www.vasp.at/forum/viewtopic.php?f=3&t=18739
We believe these issues might have to do with a memory leak when compiling VASP with OpenMP support using the NV compiler (see recently added entry in https://www.vasp.at/wiki/index.php/Known_issues).
Maybe you can try compiling the code without OpenMP and check if the issue persists.
https://www.vasp.at/forum/viewtopic.php?f=3&t=18493 (that you pointed out in the previous post)
https://www.vasp.at/forum/viewtopic.php?f=4&t=18736
https://www.vasp.at/forum/viewtopic.php?f=3&t=18739
We believe these issues might have to do with a memory leak when compiling VASP with OpenMP support using the NV compiler (see recently added entry in https://www.vasp.at/wiki/index.php/Known_issues).
Maybe you can try compiling the code without OpenMP and check if the issue persists.
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Re: AIMD Calculations terminate after a short time
Thanks a lot for the suggestion. We will have a look at this later.