RE: [gmx-users] problem with particle decomposition in gromacs 4.0.4

2009-05-06 Thread Suman Chakrabarty
Yes, I have encountered this crash with plain Gromacs 4.0.4 as well. I have not tried single processor, but with domain decomposition it runs fine. I am not sure whether it has got to do anything with our parallel architecture though. In any case, I shall file a report after I reproduce this f

RE: [gmx-users] problem with particle decomposition in gromacs 4.0.4

2009-05-06 Thread Berk Hess
Hi, Are the crashes with plain 4.0.4, or 4.0.4 with PLUMED? I have not heard of crashes in 4.0.4 with particle decomposition, so it might have to do with the link with PLUMED. Have you tried running 4.0.4 in single processor? If plain Gromacs 4.0.4 crahes on your system with PD, please file a r