Re: [gmx-users] mpi segmentation error in continuation of REMD simulation with gromacs 4.5.5

2013-11-08 Thread Mark Abraham
OK, thanks. Please open a new issue at redmine.gromacs.org, describe your observations as above, and upload a tarball of your input files. Mark On Fri, Nov 8, 2013 at 2:14 PM, Qin Qiao wrote: > On Fri, Nov 8, 2013 at 7:18 PM, Mark Abraham >wrote: > > > Hi, > > > > That shouldn't happen if yo

Re: [gmx-users] mpi segmentation error in continuation of REMD simulation with gromacs 4.5.5

2013-11-08 Thread Qin Qiao
On Fri, Nov 8, 2013 at 7:18 PM, Mark Abraham wrote: > Hi, > > That shouldn't happen if your MPI library is working (have you tested it > with other programs?) and configured properly. It's possible this is a > known bug, so please let us know if you can reproduce it in the latest > releases. > > M

Re: [gmx-users] mpi segmentation error in continuation of REMD simulation with gromacs 4.5.5

2013-11-08 Thread Mark Abraham
Hi, That shouldn't happen if your MPI library is working (have you tested it with other programs?) and configured properly. It's possible this is a known bug, so please let us know if you can reproduce it in the latest releases. Mark On Fri, Nov 8, 2013 at 6:55 AM, Qin Qiao wrote: > Dear all,

[gmx-users] mpi segmentation error in continuation of REMD simulation with gromacs 4.5.5

2013-11-07 Thread Qin Qiao
Dear all, I'm trying to continue a REMD simulation using gromacs4.5.5 under NPT ensemble, and I got the following errors when I tried to use 2 cores per replica: "[node-ib-4.local:mpi_rank_25][error_sighandler] Caught error: Segmentation fault (signal 11) [node-ib-13.local:mpi_rank_63][error_sigh