Hello,
sorry for the confusion, but I'm currently moving our infrastructure
over to Gitlab and have set Redmine to read only because of this.
I'll update gmx-users and gmx-developers once the process is done, and
then you can open the issue on Gitlab using the tracking system there.
Cheers
Hi Magnus and Justin,
Am 23.03.20 um 13:52 schrieb Magnus Lundborg:
> Hi Jochen,
>
> Have you tested if this happens with -update cpu? Perhaps it's the
bonded on GPU that's the problem, unrelated to updating.
The problem only appears with -update gpu, not with -update cpu.
I didn't see a
>
Hi Jochen,
Have you tested if this happens with -update cpu? Perhaps it's the
bonded on GPU that's the problem, unrelated to updating. I didn't see a
Redmine issue yet. Could you make one?
Cheers,
Magnus
On 2020-03-19 18:01, Jochen Hub wrote:
Hi developers,
I am running a simple DPPC
On 3/19/20 1:01 PM, Jochen Hub wrote:
Hi developers,
I am running a simple DPPC membrane (Berger force field, PME, 1nm
cutoff, 4fs time step, all standard) with 2020.1 and
comm-mode = Linear
nstcomm = 100
comm-grps = DPPC water ; OR System
Hi developers,
I am running a simple DPPC membrane (Berger force field, PME, 1nm
cutoff, 4fs time step, all standard) with 2020.1 and
comm-mode= Linear
nstcomm = 100
comm-grps= DPPC water ; OR System
but the membrane rapidly drifts along the
