Re: Simulation running slow (1ns/day)

From: Sruthi Sundaresan (bo20resch11002_at_iith.ac.in)
Date: Thu Mar 17 2022 - 07:57:43 CDT

Hello Ruturaj Sir,
Here's the configuration of the system:

Architecture: x86_64
CPU op-mode(s): 32-bit, 64-bit
Byte Order: Little Endian
CPU(s): 40
On-line CPU(s) list: 0-39
Thread(s) per core: 1
Core(s) per socket: 20
Socket(s): 2
NUMA node(s): 2
Vendor ID: GenuineIntel
CPU family: 6
Model: 85
Model name: Intel(R) Xeon(R) Gold 6248 CPU @ 2.50GHz
Stepping: 7
CPU MHz: 999.908
CPU max MHz: 3900.0000
CPU min MHz: 1000.0000
BogoMIPS: 5000.00
Virtualization: VT-x
L1d cache: 32K
L1i cache: 32K
L2 cache: 1024K
L3 cache: 28160K
NUMA node0 CPU(s): 0-19
NUMA node1 CPU(s): 20-39

On Thu, Mar 17, 2022 at 6:22 PM Ruturaj warake <ruturajwarake47_at_gmail.com>
wrote:

> Hello Shruti ma'am,
>
> Reason for your problem would be low computer configuration.
> Please mention here your computer configuration.
> If not then, try to reduce system size.
> Thanks.
>
> On Thu, 17 Mar 2022, 18:19 Sruthi Sundaresan, <bo20resch11002_at_iith.ac.in>
> wrote:
>
>> Hi all,
>> I am currently running my simulations on NAMD version 2.13 with NVIDIA
>> Tesla V100. My system consists of 600,000 atoms and I'm able to run only
>> 1ns/day. Any suggestions on how to make this run faster?
>>
>>
>> Thanks and regards,
>>
>>
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>>
>> Sruthi Sundaresan
>>
>> Ph.D. Research Scholar
>>
>> C/o Dr. Thenmalarchelvi Rathinavelan
>>
>> Molecular Biophysics Lab, Department of Biotechnology
>>
>>
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