Refactor tracking of GPU short-range work/skipping

[alexxy/gromacs.git] / src / gromacs / nbnxm / nbnxm.cpp

diff --git a/src/gromacs/nbnxm/nbnxm.cpp b/src/gromacs/nbnxm/nbnxm.cpp
index 54c9ff98640a9cd3262911d8d30ef9d454e39774..a81a6b400eab0d2cc90b078086fa6dc86b82b1e1 100644 (file)
--- a/src/gromacs/nbnxm/nbnxm.cpp
+++ b/src/gromacs/nbnxm/nbnxm.cpp
@@ -164,6 +164,13 @@ nonbonded_verlet_t::atomdata_add_nbat_f_to_f(const Nbnxm::AtomLocality  locality
                                              rvec                      *f,
                                              gmx_wallcycle             *wcycle)
 {
+    /* Skip the reduction if there was no short-range GPU work to do
+     * (either NB or both NB and bonded work). */
+    if (!pairlistIsSimple() && !haveGpuShortRangeWork(locality))
+    {
+        return;
+    }
+
     wallcycle_start(wcycle, ewcNB_XF_BUF_OPS);
     wallcycle_sub_start(wcycle, ewcsNB_F_BUF_OPS);