Re: [gmx-users] Fatal error in MPI_Allreduce upon REMD restart

2011-10-27 Thread Ben Reynwar
On Thu, Oct 27, 2011 at 4:09 PM, Mark Abraham wrote: > On 28/10/2011 9:29 AM, Ben Reynwar wrote: >> >> I found a post on the devel list from a couple of weeks ago where a >> fix is given and it appears to work for me. >> The link is >> http://lists.gromacs.org/pipermail/gmx-developers/2011-October

Re: [gmx-users] Fatal error in MPI_Allreduce upon REMD restart

2011-10-27 Thread Mark Abraham
On 28/10/2011 9:29 AM, Ben Reynwar wrote: I found a post on the devel list from a couple of weeks ago where a fix is given and it appears to work for me. The link is http://lists.gromacs.org/pipermail/gmx-developers/2011-October/005405.html The fix does not appear to have been incorporated into

Re: [gmx-users] Fatal error in MPI_Allreduce upon REMD restart

2011-10-27 Thread Ben Reynwar
I found a post on the devel list from a couple of weeks ago where a fix is given and it appears to work for me. The link is http://lists.gromacs.org/pipermail/gmx-developers/2011-October/005405.html The fix does not appear to have been incorporated into the 4.5.5 release. On Tue, Oct 25, 2011 at

Re: [gmx-users] Fatal error in MPI_Allreduce upon REMD restart

2011-10-25 Thread Mark Abraham
On 26/10/2011 6:06 AM, Szilárd Páll wrote: Hi, Firstly, you're not using the latest version and there might have been a fix for your issue in the 4.5.5 patch release. There was a bug in 4.5.5 that was not present in 4.5.4 that could have produced such symptoms, but it was fixed without creati

Re: [gmx-users] Fatal error in MPI_Allreduce upon REMD restart

2011-10-25 Thread Szilárd Páll
Hi, Firstly, you're not using the latest version and there might have been a fix for your issue in the 4.5.5 patch release. Secondly, you should check the http://redmine.gromacs.org bugtracker to see what bugs have been fixed in 4.5.5 (ideally the target version should tell). You can also just do

[gmx-users] Fatal error in MPI_Allreduce upon REMD restart

2011-10-25 Thread Ben Reynwar
Hi all, I'm getting errors in MPI_Allreduce what I restart an REMD simulation. It has occurred every time I have attempted an REMD restart. I'm posting here to check there's not something obviously wrong with the way I'm doing the restart which is causing it. I restart an REMD run using: --