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abinit 6.8.1 in paralle by lammpi
Posted: Fri Nov 18, 2011 5:34 am
by Paul
Hi,
I want to use the lammpi to configuration the abinit 6.8.1, can someone answer me whether it can work? And which version of the gcc should I choose?
Thanks~
Re: abinit 6.8.1 in paralle by lammpi
Posted: Tue Nov 22, 2011 5:20 pm
by micah.prange
It might work, but why not use the more conventional openmpi instead of lammpi? There is likely more collective experience compiling recent versions of abinit with it....
Re: abinit 6.8.1 in paralle by lammpi
Posted: Wed Nov 23, 2011 2:49 pm
by Paul
Hi,
I have configured abinit with openmpi, and I can run it with multiple CPUs during one node , however, I donot kown how to run it
by many nodes. I write a hostlist file like this :
node1:8
node2:8
node3:8
and I run the command :
mpirun -n 24 -hostfile hostlist abinit<>&log &
but it doesnot work......
can you tell me how to run it during nodes? Thanks~
Re: abinit 6.8.1 in paralle by lammpi
Posted: Wed Nov 23, 2011 6:30 pm
by jbeuken
Hi,
mpirun -n 24 -hostfile hostlist abinit<>&log &
perhaps, you forgot input files
mpirun -n 24 -hostfile hostlist abinit <
files >& log &
jmb
Re: abinit 6.8.1 in paralle by lammpi
Posted: Thu Nov 24, 2011 2:15 am
by Paul
Hi jmb,
I certainly do not forget the input file. I just did not write it out here.
mpirun -n 24 -hostfile hostlist abinit < files >& log &
I run this commend, but it doesnot work.
Thanks...
Re: abinit 6.8.1 in paralle by lammpi
Posted: Fri Nov 25, 2011 4:47 pm
by pouillon
Well, you should likely find the information you need in the documentation of LAM MPI. We can only provide you with generic hints, since we are after all developers of Abinit and just users of MPI.