[gmx-users] cudaStreamSynchronize failed

Hello, I am running a bilayer simulation with Gromacs4.6.1. I have just bought the GPU card and I am doing some tests with a DPPC bilayer simulation. But I am always getting the same error: --- Program mdrun, VERSION 4.6.1 Source code file:

[gmx-users] Computer configuration

? It would really be nice to achieve something like 40-50ns/day with a system with ~15 atoms. Thanks so far, Cíntia -- Cintia C. Vequi-Suplicy, PhD Biophysics Group Physics Institute São Paulo University http://web.if.usp.br/biofisica/ -- gmx-users mailing listgmx-users@gromacs.org http

Re: [gmx-users] Error in BlueGene

with the 4.5.5 version. Thank you all for your help, I learned a lot with all the suggestions. Cíntia On 05/02/2013 13:10, Cintia C. Vequi-Suplicy wrote: Mark, Thank you for your answer. I have already tried to run with several numbers of processors from 8 to 512 and I always got the same error

Re: [gmx-users] Error in BlueGene

Mark, Thank you for your answer. I have already tried to run with several numbers of processors from 8 to 512 and I always got the same error. And I transfer the simulation to the BlueGene in two different ways. In both ways, I got the same error. They were the following: 1) only using

Re: [gmx-users] Error in BlueGene

) to something lower than 2 fs, maybe to 1fs or, in some cases even 0.5 fs. Did you tried that? And check the energies. Which term causes the crash? Cheers, Ricardo. On Wed, 30 Jan 2013 15:44:53 -0200, Cintia C. Vequi-Suplicy wrote Mark, Thank you for your answer. I did an energy minimization

Re: [gmx-users] Error in BlueGene

system insists in exploding, even after energy minimization, you could try to decrease the integration timestep (dt) to something lower than 2 fs, maybe to 1fs or, in some cases even 0.5 fs. Did you tried that? Cheers, Ricardo. On Wed, 30 Jan 2013 15:44:53 -0200, Cintia C. Vequi-Suplicy wrote

[gmx-users] Error in BlueGene

Hello, I am having some problems to run my system in a bluegene cluster. I am running a bilayer simulation. The simulation runs very well in my local cluster. After 50ns of simulation on my local cluster with 8 nodes, I got the configurations and tried to run it in a bluegene with 512 nodes.

Re: [gmx-users] Error in BlueGene

Mark, Thank you for your answer. I did an energy minimization with the file em.mdp (below) and then I did a 40 ns simulation with the same md.mdp I send before. These two steps were done in my local cluster. After that I took the configuration for the simulation in the bluegene and I got