[QuChemPedIA@home] Project update

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[QuChemPedIA@home] Project update

Post by BOINC_News »

Dear crunchers.

The project was developed a few years ago with an intern and a very limited budget. Despite many project submissions, we did not get any funding. Sometimes we are told that our project is too ambitious, sometimes not enough... It is discouraging! The truth is that the public funding of research in France is extremely low.

Our prototype programs are outdated. At the beginning, I struggled with VMs, then security changes in the Linux kernel started to prevent the application from running properly.

Despite everything and thanks to you (thank you!), we are coming to the end of a computing campaign and the integration of the data will take me a lot of time. The project is obviously not finished and we could still submit many calculations. But today the priority is to analyze and valorize what we already have. I'll go through the last calculations that had problems and see if I can resubmit some tasks, but very soon there will be no more WU.

We have made a lot of progress with little funding, we will continue to share our scientific publications with you. Moreover, we are currently finishing writing an article and I can already tell you that we have developed a way to greatly reduce the calculations of unstable molecules.

See you soon
Kind regards,
Benoit

Source: https://quchempedia.univ-angers.fr/atho ... php?id=183
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