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Re: [lammps-users] LAMMPS run in Stampede 2
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Re: [lammps-users] LAMMPS run in Stampede 2


From: Axel Kohlmeyer <akohlmey@...24...>
Date: Tue, 29 Aug 2017 13:33:50 -0400



On Tue, Aug 29, 2017 at 12:05 PM, HUILIN YE <yhlnyu@...24...> wrote:
Hi everyone,

If there is someone running lammps in Stampede 2? I have a simple question.

As Stampede 2 default mpi is intel mpi(version impi/17.0.3), how can I write my sbatch file in the executive line?

I know it should be written as:

ibrun --mpi=openmpi /home1/04590/tg838897/lammps30Jul16/src/lmp_adhe<./in.file>log.lammps

as previous stampede install MVAPICH2.

Then how I revise it now?

​this is something that you should ask the TACC help desk. it is their job to help you run on their machine.

axel.​

 

Best,

Lynn

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--
Dr. Axel Kohlmeyer  akohlmey@...12...24...  http://goo.gl/1wk0
College of Science & Technology, Temple University, Philadelphia PA, USA
International Centre for Theoretical Physics, Trieste. Italy.