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~
abinit 6.8.1 in paralle by lammpi
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Please have a look at ~abinit/doc/config/build-config.ac in the source package for detailed and up-to-date information about the configuration of Abinit 8 builds.
For a video explanation on how to build Abinit 7.x for Linux, please go to: http://www.youtube.com/watch?v=DppLQ-KQA68.
IMPORTANT: when an answer solves your problem, please check the little green V-like button on its upper-right corner to accept it.
Please have a look at ~abinit/doc/config/build-config.ac in the source package for detailed and up-to-date information about the configuration of Abinit 8 builds.
For a video explanation on how to build Abinit 7.x for Linux, please go to: http://www.youtube.com/watch?v=DppLQ-KQA68.
IMPORTANT: when an answer solves your problem, please check the little green V-like button on its upper-right corner to accept it.
-
micah.prange
- Posts: 3
- Joined: Mon Nov 21, 2011 6:20 pm
Re: abinit 6.8.1 in paralle by lammpi
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
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~
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
Hi,
perhaps, you forgot input files
mpirun -n 24 -hostfile hostlist abinit < files >& log &
jmb
mpirun -n 24 -hostfile hostlist abinit<>&log &
perhaps, you forgot input files
mpirun -n 24 -hostfile hostlist abinit < files >& log &
jmb
------
Jean-Michel Beuken
Computer Scientist
Jean-Michel Beuken
Computer Scientist
Re: abinit 6.8.1 in paralle by lammpi
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...
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
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.
Yann Pouillon
Simune Atomistics
Donostia-San Sebastián, Spain
Simune Atomistics
Donostia-San Sebastián, Spain