Running NWchem on CentOs


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What is the interconnect between the 4 nodes? You can compile with MPI following the INSTALL file.

If you want to run it on a single node, compile without MPI and use the "parallel.x" command to run.

Bert


Quote: Mar 8th 2:34 pm
Hi Bert,

All The CPU's are in one board, an HP Proliant DL 500 Server.
It has 12 cores per CPU with a total of 48 cores.

Any ideas on compiling to access all the 12 cores in one CPU or all the 48 cores
is very much appreciated.


Thanks

Ed