GPU Ewald table kernel now uses CPU spacing

[alexxy/gromacs.git] / src / gromacs / ewald / pme-load-balancing.cpp

diff --git a/src/gromacs/ewald/pme-load-balancing.cpp b/src/gromacs/ewald/pme-load-balancing.cpp
index 2d5ff5e6452aed2cbcfe96c54c3adc0868158d92..fab16ec2b7c201f2a16159994ddb29e9ca84458f 100644 (file)
--- a/src/gromacs/ewald/pme-load-balancing.cpp
+++ b/src/gromacs/ewald/pme-load-balancing.cpp
@@ -528,7 +528,6 @@ pme_load_balance(pme_load_balancing_t      *pme_lb,
     double       cycles_fast;
     char         buf[STRLEN], sbuf[22];
     real         rtab;
-    gmx_bool     bUsesSimpleTables = TRUE;
 
     if (pme_lb->stage == pme_lb->nstage)
     {
@@ -772,7 +771,9 @@ pme_load_balance(pme_load_balancing_t      *pme_lb,
         }
     }
 
-    bUsesSimpleTables = uses_simple_tables(ir->cutoff_scheme, nbv, 0);
+    /* We always re-initialize the tables whether they are used or not */
+    init_interaction_const_tables(NULL, ic, rtab);
+
     nbnxn_gpu_pme_loadbal_update_param(nbv, ic);
 
     /* With tMPI + GPUs some ranks may be sharing GPU(s) and therefore
@@ -794,12 +795,6 @@ pme_load_balance(pme_load_balancing_t      *pme_lb,
     }
 #endif  /* GMX_THREAD_MPI */
 
-    /* Usually we won't need the simple tables with GPUs.
-     * But we do with hybrid acceleration and with free energy.
-     * To avoid bugs, we always re-initialize the simple tables here.
-     */
-    init_interaction_const_tables(NULL, ic, bUsesSimpleTables, rtab);
-
     if (!pme_lb->bSepPMERanks)
     {
         if (pme_lb->setup[pme_lb->cur].pmedata == NULL)