[gmx-users] Multiple ppa files from a single parallel mdrun_mpi job

[chris.neale at utoronto.ca]

Hello,

I am running gromacs in parallel on a new system. I am also using the  
pull code. Everything appears to be going fine, except that I get  
backup copies of the .ppa files during a single call to mdrun_mpi. My  
best guess is that this is some type of mpi problem, but any pointers  
would be welcomed.

Thanks,
Chris.

Here is the relevant output from mdrun_mpi

Reading file adw1.0.tpr, VERSION 3.3.1 (single precision)
Reading parameter file this.ppa
Reading parameter file this.ppa
Reading parameter file this.ppa
Reading parameter file this.ppa
Groups: r_1
Reference Group:  r_2
Using 1 pull groups
Using distance components 1 1 0

Back Off! I just backed up adw1.0.ppa to ./#adw1.0.ppa.1#
Sorry couldn't backup adw1.0.ppa to ./#adw1.0.ppa.1#
Sorry couldn't backup adw1.0.ppa to ./#adw1.0.ppa.1#
Groups: r_1
Reference Group:  r_2
Using 1 pull groups
Using distance components 1 1 0
Groups: r_1
Reference Group:  r_2
Using 1 pull groups
Using distance components 1 1 0
Groups: r_1
Reference Group:  r_2
Using 1 pull groups
Using distance components 1 1 0
starting mdrun 'test'
1000 steps,      2.0 ps.