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Commit e249751c authored by peastman's avatar peastman
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Further optimizations to CPU based PME

parent 041f973f
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Showing with 62 additions and 37 deletions
plugins/cpupme/src/CpuPmeKernels.cpp
View file @ e249751c
...@@ -159,29 +159,42 @@ static void spreadChargeSSE(int start, int end, float* posq, float* grid, int gr ...@@ -159,29 +159,42 @@ static void spreadChargeSSE(int start, int end, float* posq, float* grid, int gr
float charge = epsilonFactor*posq[4*i+3]; float charge = epsilonFactor*posq[4*i+3];
__m128 zdata0to3 = _mm_set_ps(extractFloat(data[3], 2), extractFloat(data[2], 2), extractFloat(data[1], 2), extractFloat(data[0], 2)); __m128 zdata0to3 = _mm_set_ps(extractFloat(data[3], 2), extractFloat(data[2], 2), extractFloat(data[1], 2), extractFloat(data[0], 2));
float zdata4 = extractFloat(data[4], 2); float zdata4 = extractFloat(data[4], 2);
for (int ix = 0; ix < PME_ORDER; ix++) { if (gridIndexZ+4 < gridz) {
int xbase = gridIndexX+ix; for (int ix = 0; ix < PME_ORDER; ix++) {
xbase -= (xbase >= gridx ? gridx : 0); int xbase = gridIndexX+ix;
xbase = xbase*gridy*gridz; xbase -= (xbase >= gridx ? gridx : 0);
float xdata = extractFloat(data[ix], 0); xbase = xbase*gridy*gridz;
float xdata = charge*extractFloat(data[ix], 0);
for (int iy = 0; iy < PME_ORDER; iy++) { for (int iy = 0; iy < PME_ORDER; iy++) {
int ybase = gridIndexY+iy; int ybase = gridIndexY+iy;
ybase -= (ybase >= gridy ? gridy : 0); ybase -= (ybase >= gridy ? gridy : 0);
ybase = xbase + ybase*gridz; ybase = xbase + ybase*gridz;
float multiplier = charge*xdata*extractFloat(data[iy], 1); float multiplier = xdata*extractFloat(data[iy], 1);
__m128 add0to3 = _mm_mul_ps(zdata0to3, _mm_set1_ps(multiplier));
__m128 add0to3 = _mm_mul_ps(zdata0to3, _mm_set1_ps(multiplier));
if (gridIndexZ+4 < gridz)
_mm_storeu_ps(&grid[ybase+gridIndexZ], _mm_add_ps(_mm_loadu_ps(&grid[ybase+gridIndexZ]), add0to3)); _mm_storeu_ps(&grid[ybase+gridIndexZ], _mm_add_ps(_mm_loadu_ps(&grid[ybase+gridIndexZ]), add0to3));
else { grid[ybase+zindex[4]] += multiplier*zdata4;
}
}
}
else {
for (int ix = 0; ix < PME_ORDER; ix++) {
int xbase = gridIndexX+ix;
xbase -= (xbase >= gridx ? gridx : 0);
xbase = xbase*gridy*gridz;
float xdata = charge*extractFloat(data[ix], 0);
for (int iy = 0; iy < PME_ORDER; iy++) {
int ybase = gridIndexY+iy;
ybase -= (ybase >= gridy ? gridy : 0);
ybase = xbase + ybase*gridz;
float multiplier = xdata*extractFloat(data[iy], 1);
__m128 add0to3 = _mm_mul_ps(zdata0to3, _mm_set1_ps(multiplier));
_mm_store_ps(temp, add0to3); _mm_store_ps(temp, add0to3);
grid[ybase+zindex[0]] += temp[0]; grid[ybase+zindex[0]] += temp[0];
grid[ybase+zindex[1]] += temp[1]; grid[ybase+zindex[1]] += temp[1];
grid[ybase+zindex[2]] += temp[2]; grid[ybase+zindex[2]] += temp[2];
grid[ybase+zindex[3]] += temp[3]; grid[ybase+zindex[3]] += temp[3];
grid[ybase+zindex[4]] += multiplier*zdata4;
} }
grid[ybase+zindex[4]] += multiplier*zdata4;
} }
} }
} }
...@@ -231,29 +244,41 @@ static void spreadChargeAVX(int start, int end, float* posq, float* grid, int gr ...@@ -231,29 +244,41 @@ static void spreadChargeAVX(int start, int end, float* posq, float* grid, int gr
int gridIndexX = _mm_extract_epi32(gridIndex, 0); int gridIndexX = _mm_extract_epi32(gridIndex, 0);
int gridIndexY = _mm_extract_epi32(gridIndex, 1); int gridIndexY = _mm_extract_epi32(gridIndex, 1);
int gridIndexZ = _mm_extract_epi32(gridIndex, 2); int gridIndexZ = _mm_extract_epi32(gridIndex, 2);
int zindex[PME_ORDER];
for (int j = 0; j < PME_ORDER; j++) {
zindex[j] = gridIndexZ+j;
zindex[j] -= (zindex[j] >= gridz ? gridz : 0);
}
float charge = epsilonFactor*posq[4*i+3]; float charge = epsilonFactor*posq[4*i+3];
__m256 zdata = _mm256_set_ps(0, 0, 0, extractFloat(data[4], 2), extractFloat(data[3], 2), extractFloat(data[2], 2), extractFloat(data[1], 2), extractFloat(data[0], 2)); __m256 zdata = _mm256_set_ps(0, 0, 0, extractFloat(data[4], 2), extractFloat(data[3], 2), extractFloat(data[2], 2), extractFloat(data[1], 2), extractFloat(data[0], 2));
for (int ix = 0; ix < PME_ORDER; ix++) { if (gridIndexZ+5 < gridz) {
int xbase = gridIndexX+ix; for (int ix = 0; ix < PME_ORDER; ix++) {
xbase -= (xbase >= gridx ? gridx : 0); int xbase = gridIndexX+ix;
xbase = xbase*gridy*gridz; xbase -= (xbase >= gridx ? gridx : 0);
float xdata = extractFloat(data[ix], 0); xbase = xbase*gridy*gridz;
float xdata = charge*extractFloat(data[ix], 0);
for (int iy = 0; iy < PME_ORDER; iy++) { for (int iy = 0; iy < PME_ORDER; iy++) {
int ybase = gridIndexY+iy; int ybase = gridIndexY+iy;
ybase -= (ybase >= gridy ? gridy : 0); ybase -= (ybase >= gridy ? gridy : 0);
ybase = xbase + ybase*gridz; ybase = xbase + ybase*gridz;
float multiplier = charge*xdata*extractFloat(data[iy], 1); float multiplier = xdata*extractFloat(data[iy], 1);
__m256 add = _mm256_mul_ps(zdata, _mm256_set1_ps(multiplier));
__m256 add = _mm256_mul_ps(zdata, _mm256_set1_ps(multiplier)); _mm256_maskstore_ps(&grid[ybase+gridIndexZ], mask, _mm256_add_ps(_mm256_maskload_ps(&grid[ybase+gridIndexZ], mask), add));
if (gridIndexZ+5 < gridz) }
_mm256_maskstore_ps(&grid[ybase+gridIndexZ], mask, _mm256_add_ps(_mm256_loadu_ps(&grid[ybase+gridIndexZ]), add)); }
else { }
else {
int zindex[PME_ORDER];
for (int j = 0; j < PME_ORDER; j++) {
zindex[j] = gridIndexZ+j;
zindex[j] -= (zindex[j] >= gridz ? gridz : 0);
}
for (int ix = 0; ix < PME_ORDER; ix++) {
int xbase = gridIndexX+ix;
xbase -= (xbase >= gridx ? gridx : 0);
xbase = xbase*gridy*gridz;
float xdata = charge*extractFloat(data[ix], 0);
for (int iy = 0; iy < PME_ORDER; iy++) {
int ybase = gridIndexY+iy;
ybase -= (ybase >= gridy ? gridy : 0);
ybase = xbase + ybase*gridz;
float multiplier = xdata*extractFloat(data[iy], 1);
__m256 add = _mm256_mul_ps(zdata, _mm256_set1_ps(multiplier));
_mm256_store_ps(temp, add); _mm256_store_ps(temp, add);
grid[ybase+zindex[0]] += temp[0]; grid[ybase+zindex[0]] += temp[0];
grid[ybase+zindex[1]] += temp[1]; grid[ybase+zindex[1]] += temp[1];
......
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