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[ESPResSo-users] minimum number of cells

From: Xikai Jiang
Subject: [ESPResSo-users] minimum number of cells
Date: Wed, 16 Jul 2014 12:59:17 -0400

Dear all:

I have a question about the global variable "minimum_num_cells".

Espresso seems to set "minimum_num_cells" to 8 by default, but
when I use MPI and use more cores, it gives me a warning saying
"number of cells is smaller than minimum". And I found when I
increase number of cores, number of cells decreases.

I'm using P3M algorithm and Coulomb cutoff is 3.3:
inter coulomb [expr 138.935485/$epsilonr/$T] p3m 3.3 100 7 1.1

Here I'm supposed not to change the interaction range (r_cut) and
my question is, is it safe to manually set "minimum_num_cells" to 0,
in order to avoid the warning and let me use more cores?

Thanks in advance!

Best regards!


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