From cdc4900df4840fbaebdc891afde1919254c0c071 Mon Sep 17 00:00:00 2001
From: Chris Maffeo <cmaffeo2@illinois.edu>
Date: Thu, 21 Mar 2024 13:32:56 -0500
Subject: [PATCH] Remove unused force array; calculate RB attached particle
energies on correct steps
---
src/GrandBrownTown.cu | 9 +++------
1 file changed, 3 insertions(+), 6 deletions(-)
diff --git a/src/GrandBrownTown.cu b/src/GrandBrownTown.cu
index cc8e217..29f23b3 100644
--- a/src/GrandBrownTown.cu
+++ b/src/GrandBrownTown.cu
@@ -636,8 +636,6 @@ void GrandBrownTown::run()
int numBlocks = ((num+num_rb_attached_particles) * numReplicas) / NUM_THREADS + (((num+num_rb_attached_particles) * numReplicas) % NUM_THREADS == 0 ? 0 : 1);
int tl = temperatureGridFile.length();
- Vector3 *force_d;
- gpuErrchk(cudaMalloc((void**)&force_d, sizeof(Vector3)*(num+num_rb_attached_particles+numGroupSites) * numReplicas));
printf("Configuration: %d particles | %d replicas\n", num, numReplicas);
for (int i=0; i< gpuman.gpus.size(); ++i) {
@@ -1046,13 +1044,13 @@ void GrandBrownTown::run()
if (get_energy) {
compute_position_dependent_force_for_rb_attached_particles
<<< numBlocks, NUM_THREADS >>> (
- internal -> getPos_d()[0], internal -> getForceInternal_d()[0],
+ internal -> getPos_d()[0],
+ internal -> getForceInternal_d()[0], internal -> getEnergy(),
internal -> getType_d(), part_d, electricField, num, num_rb_attached_particles, numReplicas, ParticleInterpolationType);
} else {
compute_position_dependent_force_for_rb_attached_particles
<<< numBlocks, NUM_THREADS >>> (
- internal -> getPos_d()[0],
- internal -> getForceInternal_d()[0], internal -> getEnergy(),
+ internal -> getPos_d()[0], internal -> getForceInternal_d()[0],
internal -> getType_d(), part_d, electricField, num, num_rb_attached_particles, numReplicas, ParticleInterpolationType);
}
POP_NVTX
@@ -1266,7 +1264,6 @@ void GrandBrownTown::run()
else if (tot_min > 0) printf("%dm%.1fs\n", tot_min, tot_sec);
else printf("%.2fs\n", tot_sec);
- gpuErrchk(cudaFree(force_d));
} // GrandBrownTown::run()
// --------------------------------------------
--
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