Hi guys,
>From what I've tested, it seems that performances decreases linearly with
the amount of tables used, exactly the opposite of what Lanyuan has said.
I've tested this for GROMACS 4.0.4 and from 1 to 190 tables. Near 190
tables, it seems that a threshold in performance starts to form, but n
On 19/07/10 23:18, Lanyuan Lu wrote:
From our group's experience, there is a critical point for dramatic
performance drop when one uses two many tables. The possible reason is that
the size of tables exceeds the cache size. However, this only happens when
the number of tables is beyond something
>From our group's experience, there is a critical point for dramatic
performance drop when one uses two many tables. The possible reason is that
the size of tables exceeds the cache size. However, this only happens when
the number of tables is beyond something like 50. The total table size for
the
On 19/07/10 18:32, Da-Wei Li wrote:
I remember the manu states that it won't cost too much compared with
standard potential function form.
Well, I find in the manual exactly the opposite:
"Note that table lookup is significantly slower than computation of the
most simple Lennard-Jones and Coulo
I remember the manu states that it won't cost too much compared with
standard potential function form.
dawei
On Mon, Jul 19, 2010 at 1:22 PM, ms wrote:
> On 19/07/10 17:32, Da-Wei Li wrote:
>>
>> It will be very little from my experience. Remember that the dominate
>> part is the non-bonded forc
On 19/07/10 17:32, Da-Wei Li wrote:
It will be very little from my experience. Remember that the dominate
part is the non-bonded force calculation.
Well, that's exactly what I tabulate.
dawei
On Mon, Jul 19, 2010 at 12:22 PM, ms wrote:
Hi,
Do you know where can I find some information on
It will be very little from my experience. Remember that the dominate
part is the non-bonded force calculation.
dawei
On Mon, Jul 19, 2010 at 12:22 PM, ms wrote:
> Hi,
>
> Do you know where can I find some information on how using tabulated
> potential affects gmx performance, and how? I have to
Hi,
Do you know where can I find some information on how using tabulated
potential affects gmx performance, and how? I have to decide how to
project a custom model but I don't want to calculate dozens of tables
only to find that gmx grinds to a halt.
thanks!
M.
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