[gmx-users] Regarding Segmentation fault during mdrun_d
lina.lastname at gmail.com
Thu Aug 4 10:06:12 CEST 2011
On Thu, Aug 4, 2011 at 3:03 PM, Ravi Kumar Venkatraman
<ravikumarvenkatraman at gmail.com> wrote:
> Dear All,
> I was trying to run NVT equilibration for cyclohexane. When I
> started running it shows following error
> Reading file nvt.tpr, VERSION 4.5.4 (double precision)
> Starting 2 threads
> Making 1D domain decomposition 2 x 1 x 1
> starting mdrun 'Cyclohexane box'
> 50000 steps, 100.0 ps.
> Segmentation fault.
> Please suggest me something to overcome this.
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try mdrun -pd
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