[gmx-users] 4 processor system

[leafyoung81-group at yahoo.com]

hi, 
 
threads is not actually present in current release. You may try to re-compile without --enable-threads. Threads does not affect mpi.
 
Yang Ye

shouliang dong <shouliangdong at gmail.com> wrote:
I have a 4 cpu system. I compiled gromacs with the flags:
--enabled-threads --enabled-mpi...... When I run mdrun with -nt 4 (it
should be use 4 cpu) flag, it showed me that "Fatal error: GROMACS
compiled without threads support - can only use one thread
[0] MPI Abort by user Aborting program !
[0] Aborting program!
p0_5482: p4_error: : -1
p4_error: latest msg from perror: Success"

I read some messages about how to run mdrun on dual cpu system. It
seamed that I need use the LAM-MPI. It is necessory or not for me? How
should I do for the 4 cpu system?

Thanks a lot!

Shouliang
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