[gmx-users] mdrun parallel error

Yang Ye leafyoung81-group at yahoo.com
Sat Jan 7 17:26:43 CET 2006


You need to make sure that, indeed, you have compiled with mpi support.

Yang Ye

hnam wrote:

>In the name of God
>Hello everyone 
>We complied Gromacs with enable -mpi ,but when we do mdrun with -np 2 it
>says: Fatal error:
>GROMACS compiled without MPI support - can't do parallel runs
>What  must we do?.
>Thank you very much in advance
>Institute of  Biochemistry  and  Biophysics (IBB)
>Tehran University 
>P.O.box 1417614411
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Yang Ye
/Computational Biology Lab
School of Biological Sciences
Nanyang Technological University
Tel: 6316-2884

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