Re: Running a test simulation using GPU only (without any CPU core)

From: Brian Radak (bradak_at_anl.gov)
Date: Thu Apr 28 2016 - 10:00:42 CDT

No. That's not how the NAMD-CUDA implementation is designed. Many
operations in normal MD are only ever performed on the CPUs.

Brian

On 04/28/2016 09:40 AM, Sourav Ray wrote:
> Hello
>
> Is there any way I can use the NAMD-CUDA version to run simulations
> without using any of the CPU cores and restricting the simulation to
> only GPU unit? I tried the following command:
>
> NAMD_2.11_Linux-x86_64-multicore-CUDA/namd2 +p0 +devices 0 test.conf >
> test.log
>
> It doesn't work and putting +p0 shows the following error:
>
> pthread_create: Resource temporarily unavailable
> Segmentation fault (core dumped)
>
> Please let me know if there is a workaround.
>
> Thanks and regards
> Sourav

-- 
Brian Radak
Postdoctoral Appointee
Leadership Computing Facility
Argonne National Laboratory
9700 South Cass Avenue, Bldg. 240
Argonne, IL 60439-4854
(630) 252-8643
brian.radak_at_anl.gov

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