[gmx-users] mdrun using mpirun

[Heikki Käsnänen]

Hi Jianzou,

it was a bit unclear for me, but did you use

grompp -np 2 ...

mpirun -np 2 mdrun_mpi -np 2 ...

works for me at least.

Best regards,

Heikki



Lainaus jianzou <zouj01 at mails.tsinghua.edu.cn>:

> >>echo 127.0.0.1 > bhost
> 
> > Don't you have to have a line in the host file you run with lamboot
> for 
> > each CPU/node?  So for a dual processor the host file should have 
> > something like this ....
> > 127.0.0.1
> > 127.0.0.1
> 
> 
> I did so but got the same error message.
> 
> I tried "-np 1" but failed too.
> 
> Does gromacs in parallel work with lam & lam-devel v7.0.4-26?
> 
> 
> Regards,
> 
> Jian Zou
> 
> _______________________________________________
> gmx-users mailing list
> gmx-users at gromacs.org
> http://www.gromacs.org/mailman/listinfo/gmx-users
> Please don't post (un)subscribe requests to the list. Use the 
> www interface or send it to gmx-users-request at gromacs.org.
> 



---------------------------
Heikki Käsnänen
B.Sc (Pharm.)
M.Sc (Pharm.) Student
Pyöräkatu 9B31
70600 Kuopio
tel. +358503793602