Fix "GMX_CUDA|OCL_NB_EWALD_TWINCUT is disabling twin cut-off"
authorAndrey Alekseenko <al42and@gmail.com>
Tue, 10 Nov 2020 15:21:45 +0000 (16:21 +0100)
committerMark Abraham <mark.j.abraham@gmail.com>
Tue, 10 Nov 2020 20:48:02 +0000 (20:48 +0000)
src/gromacs/nbnxm/nbnxm_gpu_data_mgmt.cpp

index 6e0d94ca2bd64780a89710e280af7661f9b115fb..0c3586f7d68e510a7d4611e7820a8a8399470095 100644 (file)
@@ -119,6 +119,8 @@ int nbnxn_gpu_pick_ewald_kernel_type(const interaction_const_t& ic)
             (getenv("GMX_GPU_NB_ANA_EWALD") != nullptr) || forceAnalyticalEwaldLegacy;
     const bool forceTabulatedEwald =
             (getenv("GMX_GPU_NB_TAB_EWALD") != nullptr) || forceTabulatedEwaldLegacy;
+    const bool forceTwinCutoffEwald =
+            (getenv("GMX_GPU_NB_EWALD_TWINCUT") != nullptr) || forceTwinCutoffEwaldLegacy;
 
     if (forceAnalyticalEwald && forceTabulatedEwald)
     {
@@ -151,7 +153,7 @@ int nbnxn_gpu_pick_ewald_kernel_type(const interaction_const_t& ic)
 
     /* Use twin cut-off kernels if requested by bTwinCut or the env. var.
        forces it (use it for debugging/benchmarking only). */
-    if (!bTwinCut && ((getenv("GMX_GPU_NB_EWALD_TWINCUT") == nullptr) || forceTwinCutoffEwaldLegacy))
+    if (!bTwinCut && !forceTwinCutoffEwald)
     {
         kernel_type = bUseAnalyticalEwald ? eelTypeEWALD_ANA : eelTypeEWALD_TAB;
     }