From: Andrey Alekseenko <al42and@gmail.com>
Date: Tue, 10 Nov 2020 15:21:45 +0000 (+0100)
Subject: Fix "GMX_CUDA|OCL_NB_EWALD_TWINCUT is disabling twin cut-off"
X-Git-Url: http://biod.pnpi.spb.ru/gitweb/?a=commitdiff_plain;h=8b0cd85a8681bc29b681c497e41337fecf84b31f;p=alexxy%2Fgromacs.git

Fix "GMX_CUDA|OCL_NB_EWALD_TWINCUT is disabling twin cut-off"
---

diff --git a/src/gromacs/nbnxm/nbnxm_gpu_data_mgmt.cpp b/src/gromacs/nbnxm/nbnxm_gpu_data_mgmt.cpp
index 6e0d94ca2b..0c3586f7d6 100644
--- a/src/gromacs/nbnxm/nbnxm_gpu_data_mgmt.cpp
+++ b/src/gromacs/nbnxm/nbnxm_gpu_data_mgmt.cpp
@@ -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;
     }