From 4811edb98cbd8b289d93ae943c37d433d83e5264 Mon Sep 17 00:00:00 2001 From: brucefan1983 Date: Mon, 6 May 2024 20:57:49 +0800 Subject: [PATCH 1/2] 3.9.3 --- src/main_gpumd/main.cu | 2 +- src/main_nep/main.cu | 2 +- 2 files changed, 2 insertions(+), 2 deletions(-) diff --git a/src/main_gpumd/main.cu b/src/main_gpumd/main.cu index e27ce98ab..2227d2168 100644 --- a/src/main_gpumd/main.cu +++ b/src/main_gpumd/main.cu @@ -59,7 +59,7 @@ void print_welcome_information(void) printf("***************************************************************\n"); printf("* Welcome to use GPUMD *\n"); printf("* (Graphics Processing Units Molecular Dynamics) *\n"); - printf("* Version 3.9.2 *\n"); + printf("* Version 3.9.3 *\n"); printf("* This is the gpumd executable *\n"); printf("***************************************************************\n"); printf("\n"); diff --git a/src/main_nep/main.cu b/src/main_nep/main.cu index fdc917e18..db53a3f92 100644 --- a/src/main_nep/main.cu +++ b/src/main_nep/main.cu @@ -70,7 +70,7 @@ void print_welcome_information(void) printf("***************************************************************\n"); printf("* Welcome to use GPUMD *\n"); printf("* (Graphics Processing Units Molecular Dynamics) *\n"); - printf("* Version 3.9.2 *\n"); + printf("* Version 3.9.3 *\n"); printf("* This is the nep executable *\n"); printf("***************************************************************\n"); printf("\n"); From 8e716a0a0f0e596c6d9f3f6f9f0af84b5826819e Mon Sep 17 00:00:00 2001 From: brucefan1983 Date: Tue, 7 May 2024 00:06:36 +0800 Subject: [PATCH 2/2] remove unused arguments --- src/measure/dump_piston.cu | 4 ---- 1 file changed, 4 deletions(-) diff --git a/src/measure/dump_piston.cu b/src/measure/dump_piston.cu index c148790b8..058419029 100644 --- a/src/measure/dump_piston.cu +++ b/src/measure/dump_piston.cu @@ -35,7 +35,6 @@ static __device__ __inline__ double atomicAdd(double* address, double val) static __global__ void gpu_com( int N, - int bins, int avg_window, double* g_mass, double* g_x, @@ -75,7 +74,6 @@ static __global__ void gpu_calc1( static __global__ void gpu_thermo( int N, - int bins, double avg_window, double* g_x, double* g_mass, @@ -231,7 +229,6 @@ void Dump_Piston::process(Atom& atom, Box& box, const int step) // calculate COM velocity first gpu_com<<<(n - 1) / 128 + 1, 128>>>( n, - bins, avg_window, atom.mass.data(), atom.position_per_atom.data() + direction * n, @@ -247,7 +244,6 @@ void Dump_Piston::process(Atom& atom, Box& box, const int step) // get spatial thermo info gpu_thermo<<<(n - 1) / 128 + 1, 128>>>( n, - bins, avg_window, atom.position_per_atom.data() + direction * n, atom.mass.data(),