Actualités en direct des projets (non traduites)

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Hello everybody, You probably have noticed the new ACEMD 4 app and have a few questions.

What is the difference between ACEMD 3 and ACEMD 4? A key new feature is the integration of machine learning into molecular simulations. Specifically, we are implementing a new method called NNP/MM. What is NNP/MM? NNP/MM is a hybrid simulation method combining neural network potentials (NNP) and molecular mechanics (MM). NNP can model the molecular interactions more accurately than the conventional force fields in MM, but it still is not as fast as MM. Thus, only the important part of a molecular system is simulated with NNP, while the rest part is using MM. You can read more in a pre-print of the NNP/MM article: https://arxiv.org/abs/2201.08110 How much more accurate is NNP? You can read a pre-print of the TorchMD-NET article: https://arxiv.org/abs/2202.02541 What are software/hardware requirements for ACEMD 4? Pretty much the same as for ACEMD 3. Only the significant change is the size of the software stack. ACEMD 3 and all its dependencies need just 1 GB, while for ACEMD 4 that has increased to 3 GB, notably due to PyTorch (https://pytorch.org). Also, at the moment, there are just the Linux version for CUDA >=11.2 available. When will ACEMD 3 be replaced by ACEMD 4? Within a few months, we will release ACEMD 4 officially and ACEMD 3 will be deprecated. For a moment, the apps will coexist and you will receive WUs for both of them. What will happen next? We have already sent several WUs to test the deployment of ACEMD 4 and will continue this week. Let us know, if you notice some irregularities. Next week, we are aiming to start sending production WUs.

Happy computing, Raimondas

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Création : 1 mars 2022

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We will start testing the whole system on February 28, 2022. During this time, no WU will be sent out, and the website and forum will not be active.

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Création : 26 février 2022

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Dear participants, new portion of project maintenance is scheduled on Ferbruary 26th, 10:00 UTC, for ~1 hour.

Thank you for participation!

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Création : 26 février 2022

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Hey Everyone,

The server appears to be having some connectivity issues. Additionally, one of the drives on the server appears to have failed - luckily things are mirrored so we haven't lost any data. However, I need to make a backup of things, which could take several hours. Once everything is backed up I'll try to clear out this transitioner/validator backlog and get things up to speed again.

Best,
Tom

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Création : 21 février 2022

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Could we please ask climateprediction.net project volunteers to update their BOINC client software to the latest version. There is currently an issue with older client versions (pre-7.10) not being able to communicate with the climateprediction.net project. Updating your BOINC client software to the latest version will alleviate this issue.

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Création : 21 février 2022

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...342765 times - still no sign of any larger factors

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Création : 19 février 2022