Quote:Sean Jul 25th 11:29 amAre your CPUs configured for hyper threading?
Was your MPI implementation configured with the correct settings for the scheduler that you are using?
Hi,
Yes for both of them I guess. As I have successfully ran some other programs using the same command.
I had a word with the HPC admins, they wants to know if nwchem can distribute jobs in 2 or more nodes with that commamd(1node=16threads, here). It is distributing to 16 threads with that commamd so far.
I have tried (for 2 node) but failed mpirun -np 16 -bynode nwchem abc.nw
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