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Merge pull request #615 from brucefan1983/393
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3.9.3
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brucefan1983 authored May 6, 2024
2 parents dc0a3ea + 8e716a0 commit 139ffbf
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Showing 3 changed files with 2 additions and 6 deletions.
2 changes: 1 addition & 1 deletion src/main_gpumd/main.cu
Original file line number Diff line number Diff line change
Expand Up @@ -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");
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2 changes: 1 addition & 1 deletion src/main_nep/main.cu
Original file line number Diff line number Diff line change
Expand Up @@ -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");
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4 changes: 0 additions & 4 deletions src/measure/dump_piston.cu
Original file line number Diff line number Diff line change
Expand Up @@ -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,
Expand Down Expand Up @@ -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,
Expand Down Expand Up @@ -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,
Expand All @@ -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(),
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