[gmx-users] remd- Function not implemented

[Mark Abraham]

On 3/11/2011 6:15 PM, 杜波 wrote:
> Dear teacher,
> when i do remd , the power is off . Then i use the commd
> "
> to=21
> lamboot
> mpirun_lam -np $to mdrun_mpi_4.5 -multi $to -replex 100 -nice 0 -cpi 
> state.cpt -s pmma.tpr -o md -c after_md -v
> "
> to continue to run the progarm.
> But there is a Fatal error!!
>
> Program mdrun_mpi_4.5, VERSION 4.5.5
> Source code file: checkpoint.c, line: 1757
>
> Fatal error:
> Failed to lock: md15.log. Function not implemented.
> For more information and tips for troubleshooting, please check the 
> GROMACS
> website at http://www.gromacs.org/Documentation/Errors
>

lam is unsuitable for GROMACS because it does not implement the 
functionality required. openmpi is suggested.

Mark