Re: [gmx-users] checkpointing in 4.0.7

2010-03-29 Thread Dr. Leonid Yelash
Hi Mark, thanks a lot for your reply. I checked the 4.0.7 version installed on blugene and it also doesnt write checkpoints during simulations. How it was compiled by support team i dont know, but in my compilation i mostly used options from gromacs wiki page. I think i'll not trace this issue now

Re: [gmx-users] checkpointing in 4.0.7

2010-03-25 Thread Mark Abraham
On 25/03/2010 10:01 PM, Dr. Leonid Yelash wrote: Hello everybody, does anyone have a similar problem writing checkpoints from Gromacs 4.0.7? I have two Gromacs versions, 4.0.5 and 4.0.7, compiled for bluegene. The 4.0.5 writes state.cpt during mdrun and at the end of simulation too. The 4.0.7 d

[gmx-users] checkpointing in 4.0.7

2010-03-25 Thread Dr. Leonid Yelash
Hello everybody, does anyone have a similar problem writing checkpoints from Gromacs 4.0.7? I have two Gromacs versions, 4.0.5 and 4.0.7, compiled for bluegene. The 4.0.5 writes state.cpt during mdrun and at the end of simulation too. The 4.0.7 does it at the end of the run only, but not during t