From: Jim Phillips (jim_at_ks.uiuc.edu)
Date: Thu Feb 12 2015 - 12:29:25 CST
After further investigation, a more reliable workaround is to add
"+mergegrids" to the command line.
Jim
On Wed, 11 Feb 2015, Tristan Croll wrote:
> Hi Jim,
>
> Thanks for the workaround.
>
> Cheers,
>
> Tristan
>
> ________________________________________
> From: Jim Phillips <jim_at_ks.uiuc.edu>
> Sent: Thursday, 12 February 2015 2:51 AM
> To: namd-l_at_ks.uiuc.edu; Tristan Croll
> Subject: Re: namd-l: GBIS in NAMD 2.10 CUDA with IMD
>
> Hi,
>
> Thanks for reporting this. I can reproduce the segfault but don't have an
> explanation other than some interference between CUDA and the IMD sockets
> connection. The following config file options seem to make it go away:
>
> noPatchesOnZero yes
> noPatchesOnOne yes
>
> Jim
>
>
> On Wed, 11 Feb 2015, Tristan Croll wrote:
>
>> Hi all,
>>
>>
>> Apologies for cross-posting, but I'm not quite sure where this problem lies. When running an IMD simulation using NAMD 2.10-CUDA (GTX970M card, for what it's worth), I find that if I use too many CPU cores (5-6 out of 8 total available) the simulation will inevitably crash after a few hundred steps with no error message. If I reduce the number of cores to 2-3 it runs stably.
>>
>>
>> Cheers,
>>
>>
>> Tristan
>>
>
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