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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