ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

Cleaned up debugging stuffs, need more refactoring and add to hippo

Browse Source
This commit is contained in:
Trung Nguyen
2022-09-09 13:50:41 -05:00
parent b72b71837e
commit c58343b2e2
3 changed files with 2 additions and 19 deletions
Download Patch File Download Diff File Expand all files Collapse all files

7
lib/gpu/lal_amoeba.cu
View File

@ -14,7 +14,7 @@
// ***************************************************************************
#if defined(NV_KERNEL) || defined(USE_HIP)
#include <stdio.h>
//#include <stdio.h>
#include "lal_aux_fun1.h"
#ifdef LAMMPS_SMALLBIG
#define tagint int
@ -1789,11 +1789,6 @@ __kernel void k_fphi_uind(const __global numtyp4 *restrict x_,
int gidx = 2*(k*ngridxy + j*ngridx + i);
tq_1 = grid[gidx];
tq_2 = grid[gidx+1];
/*
if (ii == 0 && jb == 0 && kb == 0)
printf("ii = 0: igrid %d %d %d; grid %f %f; k = %d j = %d; i = %d; origin = %f %f; gidx = %d\n",
igrid[4*ii+0], igrid[4*ii+1], igrid[4*ii+2], tq_1, tq_2, k, j, i, grid[0], grid[1], gidx);
*/
t0_1 += tq_1*w0;
t1_1 += tq_1*w1;
t2_1 += tq_1*w2;

9
lib/gpu/lal_base_amoeba.cpp
View File

@ -643,9 +643,6 @@ void BaseAmoebaT::precompute_induce(const int inum_full, const int bsorder,
dview_int[idx+2] = host_igrid[i][2];
}
ucl_copy(_igrid, dview_int, false);
}
// ---------------------------------------------------------------------------
@ -690,12 +687,6 @@ void BaseAmoebaT::compute_fphi_uind(const int inum_full, const int bsorder,
for (int iz = nzlo_out; iz <= nzhi_out; iz++)
for (int iy = nylo_out; iy <= nyhi_out; iy++)
for (int ix = nxlo_out; ix <= nxhi_out; ix++) {
/*
if (iz == nzlo_out && iy == nylo_out && ix == nxlo_out) {
printf("origin = %d %d %d: grid = %f %f %f\n", iz, iy, ix, host_grid_brick[iz][iy][ix][0], host_grid_brick[iz][iy][ix][1]);
}
if (iz == -2 && iy == 4 && ix == 8) printf("ixyz = %d %d %d: grid = %f %f %f; n = %d\n", iz, iy, ix, host_grid_brick[iz][iy][ix][0], host_grid_brick[iz][iy][ix][1], n);
*/
hview_cgrid[n] = host_grid_brick[iz][iy][ix][0];
hview_cgrid[n+1] = host_grid_brick[iz][iy][ix][1];
n += 2;

3
src/GPU/pair_amoeba_gpu.cpp
View File

@ -1153,7 +1153,6 @@ void PairAmoebaGPU::fphi_uind(double ****grid, double **fdip_phi1,
for (int m = 0; m < 10; m++) {
fdip_phi1[i][m] = _fdip_phi1_ptr[idx+m];
}
if (i == 0) printf("gpu fdip phi1 = %f %f %f\n", fdip_phi1[i][0], fdip_phi1[i][1], fdip_phi1[i][2]);
}
double *_fdip_phi2_ptr = (double *)fdip_phi2_pinned;
@ -1161,7 +1160,6 @@ void PairAmoebaGPU::fphi_uind(double ****grid, double **fdip_phi1,
int idx = 10 * i;
for (int m = 0; m < 10; m++)
fdip_phi2[i][m] = _fdip_phi2_ptr[idx+m];
if (i == 0) printf("gpu fdip phi2 = %f %f %f\n", fdip_phi2[i][0], fdip_phi2[i][1], fdip_phi2[i][2]);
}
double *_fdip_sum_phi_ptr = (double *)fdip_sum_phi_pinned;
@ -1169,7 +1167,6 @@ void PairAmoebaGPU::fphi_uind(double ****grid, double **fdip_phi1,
int idx = 20 * i;
for (int m = 0; m < 20; m++)
fdip_sum_phi[i][m] = _fdip_sum_phi_ptr[idx+m];
if (i == 0) printf("gpu fdip sum phi = %f %f %f\n", fdip_sum_phi[i][0], fdip_sum_phi[i][1], fdip_sum_phi[i][2]);
}
}