|Subject:||Re: [ESPResSo-users] running on cluster|
|Date:||Wed, 27 Nov 2013 10:59:28 +0100|
|User-agent:||Mozilla/5.0 (X11; Linux x86_64; rv:24.0) Gecko/20100101 Thunderbird/24.1.0|
On 11/27/2013 06:55 AM, guozhicheng222 wrote:
On our cluster(s), we need to load these things (at least fftw) by using
module load numlib/fftw/3.3.2-openmpi-1.4.3-gnu-4.5
It is important that you choose the right combination of compiler, fftw and mpi.
On some cluster you can log into the subordinate nodes by qsub -I, and then you can look araound where the libraries are.
But you should know that this is standard Unix/Cluster stuff, but the Espresso mailing list likes to answer questions about Espresso.
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