Re: [gmx-users] GROMACS 4.6.5 is released

2013-12-05 Thread João Henriques
Thank you Szillárd, that will indeed affect me and other users at the cluster. Best regards, João On Thu, Dec 5, 2013 at 8:08 AM, Szilárd Páll wrote: > The first update on the redmine page does describe the source of the > issue - although perhaps not in the most user-friendly manner. > > Tran

Re: [gmx-users] GROMACS 4.6.5 is released

2013-12-04 Thread Szilárd Páll
The first update on the redmine page does describe the source of the issue - although perhaps not in the most user-friendly manner. Translating it to a simple example, if you have dual-socket 8c nodes and 2 GPUs per node: mpirun -np 4 mdrun -ntomp 4 -gpu_id 0011 #single node 4 ranks per node, 2-w

Re: [gmx-users] GROMACS 4.6.5 is released

2013-12-04 Thread João Henriques
I did read it and wasn't very enlightened by it, that's why I kindly requested for further information on the subject. "under certain circumstances (but quite often), a segmentation fault occurs" definitely sounds serious, but it's not very explicit. In any case, I'll request a new install and tel

Re: [gmx-users] GROMACS 4.6.5 is released

2013-12-04 Thread Szilárd Páll
On Wed, Dec 4, 2013 at 10:15 AM, João Henriques wrote: > Soon enough we will have daily releases :P I hope you're not suggesting that we should release less frequently! :) > Mark, can you please elaborate just a tiny bit longer on how relevant were > the "GPU-load balancing and GPU-sharing bugs

Re: [gmx-users] GROMACS 4.6.5 is released

2013-12-04 Thread João Henriques
Soon enough we will have daily releases :P Mark, can you please elaborate just a tiny bit longer on how relevant were the "GPU-load balancing and GPU-sharing bugs introduced in a bug fix in 4.6.4"? I'm asking this because I just requested the support team at my local cluster to install 4.6.4 and I

[gmx-users] GROMACS 4.6.5 is released

2013-12-02 Thread Mark Abraham
Hi GROMACS users, GROMACS 4.6.5 is officially released. It contains a significant bug fix when using GPUs in a multi-node simulation, introduced in another recent bug fix. We encourage all users to upgrade their installations from earlier 4.6.x releases. You can find the code, manual, release not