[gmx-users] Gromacs on Nvidia 830M

Szilárd Páll pall.szilard at gmail.com
Thu Apr 9 14:58:57 CEST 2015


On Thu, Apr 9, 2015 at 7:35 AM, B P <4gromacs at gmail.com> wrote:
> Thank you Szilárd. I'm running the laptop on i3. Also taking care of
> cooling issues.
>
> Am amazed that Gromacs pushes CPU harder than prime95.

Note that this is true more for the non GPU-accelerated version as the
compute-heavy code is offloaded to GPUs when present. Take this with a
grain of salt, but AFAIR both an i7 3770K and an FX-8350 with the
stock fan and very well cooled case was running a lot hotter than any
Prime95-based burn-in tests I could find.

>
> Regards,
> BP.
>
> On Thu, Apr 9, 2015 at 1:18 AM, Szilárd Páll <pall.szilard at gmail.com> wrote:
>
>> It should work but as others have noted, you may run into cooling
>> issues. Your performance will also depend on the CPU you have - if
>> it's some fast i5 or i7, the 830M may not be able to improve the
>> performance much.
>>
>> On the other hand, I would not advise you to run GROMACS on a laptop
>> for extended periods of time without being sure that you have adequate
>> cooling and it does not overheat. GROMACS can be quite brutal
>> especially on the CPU (I have seen it push the CPU harder that the
>> thought-to-be aggressive prime95 benchmark mainstream websites use for
>> burn-in).
>>
>> --
>> Szilárd
>>
>>
>> On Mon, Apr 6, 2015 at 8:57 AM, B P <4gromacs at gmail.com> wrote:
>> > Dear users,
>> > I perfectly understand that gromacs is not for laptops. However, I was
>> > wondering about gromacs performing on an i3 laptop with Nvidia 830M with
>> > 4Gb memory. Has anyone tried?
>> >
>> > Regards,
>> > BP.
>> > --
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