[gmx-users] mdrun with multiple threads support

Limei Zhang limei_z at hotmail.com
Thu Dec 20 00:04:32 CET 2007

Hi, there, 

I had a problem running mdrun on multiple processors and multiple threads. 

The error message is: 

program mdrun_mpi version 3.3.2
source mdrun.c line 227

Fatal error: 
GROMACS compiled without threads support - can only use one thread. 


I compiled mdrun using 

>./configure --enable-mpi --enable-thread --program-suffix=_mpi
>make mdrun 
>make install-mdrun

So I could not understand why I get the error message. 

Could anyone give me some suggestions? 


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