From e2fd1a04766ad2e47f8369c7901daba18f86834c Mon Sep 17 00:00:00 2001 From: Maximilian Gaul Date: Thu, 11 Nov 2021 21:00:30 +0100 Subject: [PATCH] Fixed bug, results are now equal to master branch (but still slow) --- src/force.cu | 10 +++++++--- 1 file changed, 7 insertions(+), 3 deletions(-) diff --git a/src/force.cu b/src/force.cu index b28795f..976ac27 100644 --- a/src/force.cu +++ b/src/force.cu @@ -81,9 +81,9 @@ __global__ void calc_force( MD_FLOAT sr2 = 1.0 / rsq; MD_FLOAT sr6 = sr2 * sr2 * sr2 * sigma6; MD_FLOAT force = 48.0 * sr6 * (sr6 - 0.5) * sr2 * epsilon; - fix[k] = delx * force; - fiy[k] = dely * force; - fiz[k] = delz * force; + fix[k] += delx * force; + fiy[k] += dely * force; + fiz[k] += delz * force; } } @@ -165,6 +165,10 @@ double computeForce( checkError( "c_fiy malloc", cudaMalloc((void**)&c_fiy, sizeof(MD_FLOAT) * numneighs) ); checkError( "c_fiz malloc", cudaMalloc((void**)&c_fiz, sizeof(MD_FLOAT) * numneighs) ); + checkError( "c_fix memset", cudaMemset(c_fix, 0, sizeof(MD_FLOAT) * numneighs) ); + checkError( "c_fiy memset", cudaMemset(c_fiy, 0, sizeof(MD_FLOAT) * numneighs) ); + checkError( "c_fiz memset", cudaMemset(c_fiz, 0, sizeof(MD_FLOAT) * numneighs) ); + // launch cuda kernel calc_force <<< num_blocks, num_threads_per_block >>> (c_atom, xtmp, ytmp, ztmp, c_fix, c_fiy, c_fiz, cutforcesq, sigma6, epsilon, i, numneighs, c_neighs); checkError( "PeekAtLastError", cudaPeekAtLastError() );