On Tue, May 29, 2012 at 1:22 PM, Stephen Cox stephen.cox...@ucl.ac.uk wrote:
I'm running a number of energy minimizations on a clathrate supercell and I
get quite significantly different values for the total energy depending on
the number of mpi processes / number of threads I use.
You are
Hi,
I'm running a number of energy minimizations on a clathrate supercell and I
get quite significantly different values for the total energy depending on
the number of mpi processes / number of threads I use. More specifically,
some numbers I get are:
#cores energy
1
On 5/29/12 6:22 AM, Stephen Cox wrote:
Hi,
I'm running a number of energy minimizations on a clathrate supercell and I get
quite significantly different values for the total energy depending on the
number of mpi processes / number of threads I use. More specifically, some
numbers I get are:
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