Improve DLB+PME tuning with GPUs

[alexxy/gromacs.git] / src / programs / mdrun / md.cpp

diff --git a/src/programs/mdrun/md.cpp b/src/programs/mdrun/md.cpp
index 505b9a7ca39905b5a266fb30fd3eaacc5bd12bea..f1372731958a627d77d317fab8fa1976527874a6 100644 (file)
--- a/src/programs/mdrun/md.cpp
+++ b/src/programs/mdrun/md.cpp
@@ -475,8 +475,8 @@ double do_md(FILE *fplog, t_commrec *cr, int nfile, const t_filenm fnm[],
                 !(Flags & MD_REPRODUCIBLE));
     if (bPMETune)
     {
-        pme_loadbal_init(&pme_loadbal, ir, state->box, fr->ic, fr->pmedata,
-                         use_GPU(fr->nbv), !(cr->duty & DUTY_PME),
+        pme_loadbal_init(&pme_loadbal, cr, fplog, ir, state->box,
+                         fr->ic, fr->pmedata, use_GPU(fr->nbv),
                          &bPMETunePrinting);
     }