x-users-boun...@maillist.sys.kth.se] Im Auftrag von
> Carsten Kutzner
> Gesendet: Donnerstag, 8. Januar 2015 15:51
> An: gmx-us...@gromacs.org
> Betreff: Re: [gmx-users] g_tune_pme_mpi on GPU cluster fails
>
>
> On 08 Jan 2015, at 15:32, Ebert Maximilian wrote:
>
>> H
-boun...@maillist.sys.kth.se] Im Auftrag von
Carsten Kutzner
Gesendet: Donnerstag, 8. Januar 2015 15:51
An: gmx-us...@gromacs.org
Betreff: Re: [gmx-users] g_tune_pme_mpi on GPU cluster fails
On 08 Jan 2015, at 15:32, Ebert Maximilian wrote:
> Hi Carsten,
>
> I was benchmarking my first s
er
> Gesendet: Mittwoch, 7. Januar 2015 17:04
> An: gmx-us...@gromacs.org
> Betreff: Re: [gmx-users] g_tune_pme_mpi on GPU cluster fails
>
> Hi,
>
> there are two issues here:
>
> a) you must not start multiple copies of g_tune_pme, but a single one.
> g_tune_pme will
] g_tune_pme_mpi on GPU cluster fails
Hi,
there are two issues here:
a) you must not start multiple copies of g_tune_pme, but a single one.
g_tune_pme will by itself launch MPI-parallel mdrun processes (the path to the
mdrun executable needs to be specified in the MDRUN environment variable, you
On Wed, Jan 7, 2015 at 3:11 PM, Ebert Maximilian
wrote:
> Hi there,
>
> I have again a question regarding our GPU cluster. I tried to
> g_tune_pme_mpi on the cluster. After starting it across 3 nodes I get the
> following errors:
>
>
> Command line:
> g_tune_pme_mpi -v -x -deffnm 1G68_run1ns -s
Hi,
there are two issues here:
a) you must not start multiple copies of g_tune_pme, but a single one.
g_tune_pme will by itself launch MPI-parallel mdrun processes (the
path to the mdrun executable needs to be specified in the MDRUN environment
variable, you might need to set others as well depen
Hi there,
I have again a question regarding our GPU cluster. I tried to g_tune_pme_mpi on
the cluster. After starting it across 3 nodes I get the following errors:
Command line:
g_tune_pme_mpi -v -x -deffnm 1G68_run1ns -s ../run100ns.tpr
Reading file ../run100ns.tpr, VERSION 5.0.1 (single pr
