[gmx-users] multi cpu problem

David spoel at xray.bmc.uu.se
Tue Jan 27 17:22:00 CET 2004


On Tue, 2004-01-27 at 04:28, Wei Fu wrote:
> Hi,all
>  I am doing a SD simulation, it runs good when I execute with 1 cpu,
> but it can't run with multi cpu (2 cpu). the wrong info. is
> *************************************************************
> MPI: MPI_COMM_WORLD rank 0 has terminated without calling MPI_Finalize()
> MPI: Received signal 10
> *************************************************************
> 
> with the same SD parameter, I did a test on a smaill protein, it can run
> with both 1 cpu and multi cpu. So, does this means that the node is
> releated to the system you are simulating. How can I solve this problem?
> Any hints are appreciated!
which gromacs release?
more info please...
> 
> Wei
> 
> ************************************************************
>   Wei Fu (Linda)
>   Postdoctoral Research Associate
>   Department of Biology and Biochemistry 
>   University of Houston
>   4800 Calhoun Rd. HSC #402C
>   Houston, TX 77204-5001   USA
>   Phone:713-743-8355(o)  713-795-9270(h) 
>   Fax:713-743-8351 
>   Email: fuwei at adrik.bchs.uh.edu
>   http://adrik.bchs.uh.edu/~fuwei/
> **************************************************************
> 
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-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assist. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
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