From 26c8d3d98f478075f35da08e7cd722899c18cec2 Mon Sep 17 00:00:00 2001
From: Stan Moore <stanmoore1@gmail.com>
Date: Wed, 25 Jan 2017 12:53:55 -0700
Subject: [PATCH] Fixing GPU memory issue in fix_langevin_kokkos
---
src/KOKKOS/fix_langevin_kokkos.cpp | 9 ++++++---
1 file changed, 6 insertions(+), 3 deletions(-)
diff --git a/src/KOKKOS/fix_langevin_kokkos.cpp b/src/KOKKOS/fix_langevin_kokkos.cpp
index b51c934c3e..0572dcedbe 100644
--- a/src/KOKKOS/fix_langevin_kokkos.cpp
+++ b/src/KOKKOS/fix_langevin_kokkos.cpp
@@ -177,11 +177,12 @@ void FixLangevinKokkos<DeviceType>::post_force(int vflag)
// account for bias velocity
if(tbiasflag == BIAS){
+ atomKK->sync(temperature->execution_space,temperature->datamask_read);
temperature->compute_scalar();
temperature->remove_bias_all(); // modifies velocities
// if temeprature compute is kokkosized host-devcie comm won't be needed
- atomKK->modified(Host,V_MASK);
- atomKK->sync(execution_space,V_MASK);
+ atomKK->modified(temperature->execution_space,temperature->datamask_modify);
+ atomKK->sync(execution_space,temperature->datamask_modify);
}
// compute langevin force in parallel on the device
@@ -508,8 +509,10 @@ void FixLangevinKokkos<DeviceType>::post_force(int vflag)
DeviceType::fence();
if(tbiasflag == BIAS){
+ atomKK->sync(temperature->execution_space,temperature->datamask_read);
temperature->restore_bias_all(); // modifies velocities
- atomKK->modified(Host,V_MASK);
+ atomKK->modified(temperature->execution_space,temperature->datamask_modify);
+ atomKK->sync(execution_space,temperature->datamask_modify);
}
// set modify flags for the views modified in post_force functor
--
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