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.
On 04/28/2016 09:40 AM, Sourav Ray wrote:
> 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 >
> 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
-- 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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