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126 changes: 85 additions & 41 deletions src/main.cu
Original file line number Diff line number Diff line change
Expand Up @@ -310,52 +310,96 @@ void run_computes(){

void run_frame_printing() {
// I/O blocks //
if (traj_freq > 0 && step % traj_freq == 0) {
print_t_in = int(time(0));
//cudaDeviceSynchronize();

cuda_collect_x();
write_lammps_traj();
print_t_out = int(time(0));
print_tot_time += print_t_out - print_t_in;
}

if (gsd_freq > 0 && step % gsd_freq == 0) {
print_t_in = int(time(0));
//cudaDeviceSynchronize();

cuda_collect_x();
write_gsd_traj();
print_t_out = int(time(0));
print_tot_time += print_t_out - print_t_in;
}
if (log_traj_flag == 1) {
if (traj_freq > 0 && step % traj_freq == 0) {
print_t_in = int(time(0));
//cudaDeviceSynchronize();
cuda_collect_x();
write_lammps_traj();
print_t_out = int(time(0));
print_tot_time += print_t_out - print_t_in;
traj_freq *= traj_mult_factor;
}
}
else if(traj_freq > 0 && step % traj_freq == 0) {
print_t_in = int(time(0));
//cudaDeviceSynchronize();
cuda_collect_x();
write_lammps_traj();
print_t_out = int(time(0));
print_tot_time += print_t_out - print_t_in;
}

if (grid_freq > 0 && step % grid_freq == 0) {
print_t_in = int(time(0));
//cudaDeviceSynchronize();

cuda_collect_rho();
for (int i = 0; i < ntypes; i++) {
char nm[30];
sprintf(nm, "rho%d.dat", i);
write_grid_data(nm, Components[i].rho);
if (log_gsd_flag == 1) {
if (gsd_freq > 0 && step % gsd_freq == 0) {
print_t_in = int(time(0));
//cudaDeviceSynchronize();
cuda_collect_x();
write_gsd_traj();
print_t_out = int(time(0));
print_tot_time += print_t_out - print_t_in;
gsd_freq *= gsd_mult_factor;
}
}
else if(gsd_freq > 0 && step % gsd_freq == 0) {
print_t_in = int(time(0));
//cudaDeviceSynchronize();
cuda_collect_x();
write_gsd_traj();
print_t_out = int(time(0));
print_tot_time += print_t_out - print_t_in;
}

print_t_out = int(time(0));
print_tot_time += print_t_out - print_t_in;
}

if (bin_freq > 0 && step % bin_freq == 0) {
print_t_in = int(time(0));
//cudaDeviceSynchronize();

cuda_collect_rho();
cuda_collect_x();
if (log_grid_flag == 1) {
if (grid_freq > 0 && step % grid_freq == 0) {
//cudaDeviceSynchronize();
cuda_collect_rho();
for (int i = 0; i < ntypes; i++) {
char nm[30];
sprintf(nm, "rho%d.dat", i);
write_grid_data(nm, Components[i].rho);
}
print_t_out = int(time(0));
print_tot_time += print_t_out - print_t_in;;
grid_freq *= grid_mult_factor;
}
}
else if (grid_freq > 0 && step % grid_freq == 0) {
print_t_in = int(time(0));
//cudaDeviceSynchronize();
cuda_collect_rho();
for (int i = 0; i < ntypes; i++) {
char nm[30];
sprintf(nm, "rho%d.dat", i);
write_grid_data(nm, Components[i].rho);
}
print_t_out = int(time(0));
print_tot_time += print_t_out - print_t_in;
}

write_binary();
print_t_out = int(time(0));
print_tot_time += print_t_out - print_t_in;
}
if (log_bin_flag == 1) {
if (bin_freq > 0 && step % bin_freq == 0) {
print_t_in = int(time(0));
//cudaDeviceSynchronize();
cuda_collect_rho();
cuda_collect_x();
write_binary();
print_t_out = int(time(0));
print_tot_time += print_t_out - print_t_in;
bin_freq *= bin_mult_factor;
}
}
else if(bin_freq > 0 && step % bin_freq == 0) {
print_t_in = int(time(0));
//cudaDeviceSynchronize();
cuda_collect_rho();
cuda_collect_x();
write_binary();
print_t_out = int(time(0));
print_tot_time += print_t_out - print_t_in;
}
}

void write_data_header(const char* lbl){
Expand Down Expand Up @@ -482,4 +526,4 @@ void set_ft_config(){
global_step = 0;
LOW_DENS_FLAG = 0;

}
}