[gmx-users] mdrun with multiple threads support

[Limei Zhang]

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? 

Thanks

Limei
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