[gmx-users] mdrun and simulation time

2013-05-13 Thread Francesco
Good morning all, This morning I checked the output of a 8ns (4 x 2ns) of simulation and I noticed a strange behaviour: The fist two simulations (each 2ns) ended up correctly and they both took 2h 06min to finish. The second two were still running when the cluster time was over (I asked for 2.30)

Re: [gmx-users] mdrun and simulation time

2013-05-13 Thread Justin Lemkul
On 5/13/13 6:41 AM, Francesco wrote: Good morning all, This morning I checked the output of a 8ns (4 x 2ns) of simulation and I noticed a strange behaviour: The fist two simulations (each 2ns) ended up correctly and they both took 2h 06min to finish. The second two were still running when the

Re: [gmx-users] mdrun and simulation time

2013-05-13 Thread Francesco
thank you for the reply, I'm in contact with my admin and I hope that he will tell me something soon. One thing that I really don't understand is why only the last nanoseconds are affected. I run the same simulation (with the same paramenters) and I've never had problems in the first 4 ns , only