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07:42 AM on
15 Feb, 2013
I was juts wondering if the automatic distribution of k-points across mpi-processes has been implemented into the schroedinger solver yet because I have tried to run it in serveral different configurations and it only seems to be able to partition it spatially
Tillmann Christoph Kubis
10:46 AM on
16 Feb, 2013
Schroedinger runs in parallel. All you have to do is to define your number of k-points and call nemo5 with mpiexec -n number_of_CPUs. Please let us know if that works for you. Thanks, Tillmann
07:06 AM on
18 Feb, 2013
I think I have realised what was confusing me. I was using firstly using the opnempi instead of mpich2 and then when I used mpich2, it didnt look like it was working because it only output one of the processes to terminal
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