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Dears, we added badges for a recent methodological publication, [Link] High-Throughput Automated Preparation and Simulation of Membrane Proteins with HTMD. We describe a procedure to automatically set-up membrane simulations, and show it working en masse on all membrane structures published in the OPM database (hence the WU names you may have seen in the past). Membrane proteins are quite interesting because they are involved in extra-cellular signalling, not to mention how many of them are drug targets; simulations are especially time-consuming to set-up, and we tried to develop tools to make the process less error-prone. Thanks to all contributors!

By gpugrid at 2017-08-09

Hey all, some astute members might have noticed we got a new publication out? [Link] https://goo.gl/MoIi0d You remember these [Link] BARNA/[Link] BNBS workunits? Well, we finally made it :) Frank and Nuria did an incredible work with our simulations and got the paper published in Nature Chemistry which is a top-top journal in our field! To thank you all for this incredible contribution we will be handing out badges soon and you have my (and our group's) heartfelt thanks to all of you! ps. A layman news piece on the article [Link] https://www.upf.edu/home/-/asset_publisher/UI8Z8VAxU47P/content/id/8788860/maximized

By gpugrid at 2017-06-12

Dear all, GPUGRID will stop supporting Windows XP in April 2018 Every version of the science application we have to maintain costs us time and effort, and it's important that we focus our resources where they can give us the best return. Building and testing Windows XP versions our applications is increasingly difficult now the OS is unsupported by both Microsoft and NVIDIA. There are now fewer than 20 Windows XP machines crunching on GPUGrid, out of a total of over 2500, and it's difficult to justify on-going engineering effort for a small fraction of our capacity. Sadly, this means that it's time for us to stop supporting Windows XP. The recent update to the application will be the last, and will cease to work one year from now. After that time work will only be issued to hosts running Windows 7+ or Linux. If this affects you, please accept my apologies. Your contribution has been greatly appreciated, and I hope that you'll continue to support us. Matt

By gpugrid at 2017-04-17

Dear All, If you've been following other threads on the forums, you'll know that the Windows versions of the science application have recently been updated. There are now two versions, 849 (CUDA 6.5) and 918 (CUDA 8.0), which will be assigned to hosts as follows: * 849 - Windows XP (32 or 64 bit) and any GPU >= sm 3.0 - Any 64bit Windows with a Kepler 3.0 device * 918 - Any 64bit Windows, Vista or later with any GPU > sm 3.0 and driver >= 370.0 The peculiar exception for sm 3.0 devices is due to a compiler problem with CUDA 80 that affects only that hardware version. When that's fixed, hosts with a non-XP Windows will get 918. If you see any behaviour that deviates from this, please report it here. If you think you should be getting work, but aren't please check that your system complies with the above, in particular the driver revision and that the OS is 64 bit.

By gpugrid at 2017-04-17

Windows Version 915 is now unified for Kepler, Maxwell and Pascal. No problems expected, bit report anything unusual here.. MJH

By gpugrid at 2017-04-07

After some tests the only thing that we are sure is that downloads of large files stall when the operating is CentOS7. If we use CentOS6 they do work. Can anybody reproduce it? the way we test it on gpugrid is: wget --no-cache --delete-after http://www.gpugrid.net/download/libcufft.so.8.0 We don't know if it is a combination of CentOS7 and our network or it's a problem of CentOS7. There could also be other problems but this is one. gdf

By gpugrid at 2016-12-23