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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! Xikai |
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