Dear all,
I'm trying to install openmm enabled version of gromacs 4.6.7 on a 6-core
i7 machine with two GTX 1080 Ti GPUs. I am repeatedly facing a rather
strange error while running make:
/home/sujit/gromacs-4.6.7/src/contrib/mdrun_openmm.c: In function ‘cmain’:
/home/sujit/gromacs-4.6.7/src/contr
Hi,
This code was not ever functional in the 4.6 branch, so if you want it to
work, try 4.5.7. But really there is no reason to want to build it any more
- use the CUDA and OpenCL ports available in more recent GROMACS.
Mark
On Mon, Jul 16, 2018 at 6:47 PM Rajat Desikan
wrote:
> Dear all,
> I'
Hi Mark,
Thank you for the quick answer. My group is experimenting with a GPU-heavy
processor-light configuration similar to the Amber machines available from
Exxact (https://www.exxactcorp.com/AMBER-Certified-MD-Systems). In our
understanding, for this configuration to be successful performance-w
On 7/16/18 1:42 PM, Rajat Desikan wrote:
Hi Mark,
Thank you for the quick answer. My group is experimenting with a GPU-heavy
processor-light configuration similar to the Amber machines available from
Exxact (https://www.exxactcorp.com/AMBER-Certified-MD-Systems). In our
understanding, for this
Justin,
Lovely advice. I'll definitely consider it :) Thank you.
Regards,
Rajat
On Mon, Jul 16, 2018 at 11:15 PM Justin Lemkul wrote:
>
>
> On 7/16/18 1:42 PM, Rajat Desikan wrote:
> > Hi Mark,
> >
> > Thank you for the quick answer. My group is experimenting with a
> GPU-heavy
> > processor-l
On Mon, Jul 16, 2018 at 7:43 PM Rajat Desikan
wrote:
> Hi Mark,
>
> Thank you for the quick answer. My group is experimenting with a GPU-heavy
> processor-light configuration similar to the Amber machines available from
> Exxact (https://www.exxactcorp.com/AMBER-Certified-MD-Systems). In our
> un
Hi Szilard,
Your advice was perfect: I've installed gromacs 2018_2 on my computer and
I'm currently testing some sample runs which have speeded up 20 times!
However, I consistently find that mdrun only selects one GPU when two are
available. Why does this happen?
*nvidia-smi*
Fri Jul 20 12:22:26
