From 429bba148a2e7b638e7e753e54c89c4d210cd08a Mon Sep 17 00:00:00 2001 From: Mark Abraham Date: Thu, 1 Aug 2019 18:42:53 +0200 Subject: [PATCH] Fix estimate of the size of a j list There is no need to truncate this to an integer. It's made and consumed as a real. Change-Id: Idbcc4040428d4a6a3e2a96b69c83e6c11fbe93f2 --- src/gromacs/nbnxm/pairlist.cpp | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/gromacs/nbnxm/pairlist.cpp b/src/gromacs/nbnxm/pairlist.cpp index 0d008e9f15..de0a081d51 100644 --- a/src/gromacs/nbnxm/pairlist.cpp +++ b/src/gromacs/nbnxm/pairlist.cpp @@ -2607,7 +2607,7 @@ static void get_nsubpair_target(const Nbnxm::GridSet &gridSet, */ *nsubpair_target = std::max(nsubpair_target_min, roundToInt(nsp_est/min_ci_balanced)); - *nsubpair_tot_est = static_cast(nsp_est); + *nsubpair_tot_est = nsp_est; if (debug) { -- 2.22.0