Re: [gmx-users] mdrun on single node with GPU

2018-03-28 Thread Szilárd Páll
Hi, I can't reproduce your issue, can you please share a full log file, please? Cheers, -- Szilárd On Wed, Mar 28, 2018 at 5:26 AM, Myunggi Yi wrote: > Dear users, > > I am running simulation with gromacs 2018.1 version > on a computer with quad core and 1 gpu. > > I used to use the following

[gmx-users] mdrun on single node with GPU

2018-03-27 Thread Myunggi Yi
Dear users, I am running simulation with gromacs 2018.1 version on a computer with quad core and 1 gpu. I used to use the following command to run simulations. gmx mdrun -deffnm md However, this time I've got the following message. --- Progr