diff --git a/Makefile b/Makefile index 2e05f9a..e15e330 100644 --- a/Makefile +++ b/Makefile @@ -19,6 +19,10 @@ else DEFINES += -DPRECISION=2 endif +ifneq ($(INTERNAL_LOOP_NTIMES),) + DEFINES += -DINTERNAL_LOOP_NTIMES=$(INTERNAL_LOOP_NTIMES) +endif + VPATH = $(SRC_DIR) ASM = $(patsubst $(SRC_DIR)/%.c, $(BUILD_DIR)/%.s,$(wildcard $(SRC_DIR)/*.c)) OBJ = $(filter-out $(BUILD_DIR)/main%,$(patsubst $(SRC_DIR)/%.c, $(BUILD_DIR)/%.o,$(wildcard $(SRC_DIR)/*.c))) diff --git a/arch_analysis/osaca_force_soa_lt8_iln1000.txt b/arch_analysis/osaca_force_soa_lt8_iln1000.txt new file mode 100644 index 0000000..8ff88d5 --- /dev/null +++ b/arch_analysis/osaca_force_soa_lt8_iln1000.txt @@ -0,0 +1,70 @@ +iwia021h@testfront1:~/MD-Bench$ /home/hpc/iwia/iwia021h/.local/bin/osaca --ignore-unknown --arch=CSX ICC/force.s +Open Source Architecture Code Analyzer (OSACA) - 0.3.14 +Analyzed file: ICC/force.s +Architecture: CSX +Timestamp: 2021-04-30 16:08:44 + + + P - Throughput of LOAD operation can be hidden behind a past or future STORE instruction + * - Instruction micro-ops not bound to a port + X - No throughput/latency information for this instruction in data file + + +Combined Analysis Report +------------------------ + Port pressure in cycles + | 0 - 0DV | 1 | 2 - 2D | 3 - 3D | 4 | 5 | 6 | 7 || CP | LCD | +------------------------------------------------------------------------------------------------- + 306 | | | | | | | | || | | # LOE rbp rdi r8 r9 r10 edx ecx r11d r12d r13d r14d r15d ymm13 ymm14 zmm2 zmm3 zmm4 zmm5 zmm6 zmm7 zmm8 zmm9 zmm10 zmm11 zmm12 zmm15 + 307 | | | | | | | | || | | ..B1.29: # Preds ..B1.28 + 308 | | | | | | | | || | | # Execution count [2.50e+04] + 309 | 0.00 | 0.50 | | | | 0.00 | 0.50 | || | | movl %r14d, %eax #64.13 + 310 | | | | | | | | || | | X subl %ecx, %eax #64.13 + 311 | | | | | | | | || | | X vpbroadcastd %eax, %ymm0 #64.13 + 312 | | | | | | 1.00 | | || | | vpcmpgtd %ymm14, %ymm0, %k5 #64.13 + 313 | 0.00 | 0.16 | | | | 0.00 | 0.84 | || | | movslq %ecx, %rcx #64.13 + 314 | | | | | | | | || | | * vmovaps %zmm15, %zmm17 #67.40 + 315 | 1.00 | | | | | | | || | | kmovw %k5, %k2 #67.40 + 316 | | | | | | | | || | | * vmovaps %zmm15, %zmm16 #66.40 + 317 | 0.00 | 1.00 | 0.50 0.50 | 0.50 0.50 | | 0.00 | | || 4.0 | | vmovdqu32 (%rdi,%rcx,4), %ymm1{%k5}{z} #65.25 + 318 | 1.00 | | | | | | | || | | kmovw %k5, %k1 #66.40 + 319 | | | | | | | | || | | * vmovaps %zmm15, %zmm18 #68.40 + 320 | 1.00 | | | | | | | || | | kmovw %k5, %k3 #68.40 + 321 | 1.50 | 0.50 | 4.00 0.50 | 4.00 0.50 | | 0.50 | 0.50 | || | | vgatherdpd (%r8,%ymm1,8), %zmm18{%k3} #68.40 + 322 | 1.50 | 0.50 | 4.00 0.50 | 4.00 0.50 | | 0.50 | 0.50 | || 4.0 | | vgatherdpd (%r9,%ymm1,8), %zmm17{%k2} #67.40 + 323 | 1.50 | 0.34 | 4.00 0.50 | 4.00 0.50 | | 0.50 | 0.66 | || | | vgatherdpd (%r10,%ymm1,8), %zmm16{%k1} #66.40 + 324 | 0.50 | | | | | 0.50 | | || | | vsubpd %zmm18, %zmm3, %zmm31 #68.40 + 325 | 0.50 | | | | | 0.50 | | || 4.0 | | vsubpd %zmm17, %zmm2, %zmm29 #67.40 + 326 | 0.50 | | | | | 0.50 | | || | | vsubpd %zmm16, %zmm4, %zmm28 #66.40 + 327 | 0.50 | | | | | 0.50 | | || 4.0 | | vmulpd %zmm29, %zmm29, %zmm27 #69.53 + 328 | 0.50 | | | | | 0.50 | | || 4.0 | | vfmadd231pd %zmm28, %zmm28, %zmm27 #69.53 + 329 | 0.50 | | | | | 0.50 | | || 4.0 | | vfmadd231pd %zmm31, %zmm31, %zmm27 #69.67 + 330 | 2.50 | | | | | 0.50 | | || 8.0 | | vrcp14pd %zmm27, %zmm26 #72.42 + 331 | | | | | | 1.00 | | || | | vcmppd $1, %zmm12, %zmm27, %k6{%k5} #71.26 + 332 | | | | | | 1.00 | | || | | vfpclasspd $30, %zmm26, %k0 #72.42 + 333 | | | | | | | | || | | * vmovaps %zmm27, %zmm19 #72.42 + 334 | 0.50 | | 0.50 0.50 | 0.50 0.50 | | 0.50 | | || 4.0 | | vfnmadd213pd .L_2il0floatpacket.5(%rip){1to8}, %zmm26, %zmm19 #72.42 + 335 | 1.00 | | | | | | | || | | knotw %k0, %k4 #72.42 + 336 | 0.50 | | | | | 0.50 | | || 4.0 | | vmulpd %zmm19, %zmm19, %zmm20 #72.42 + 337 | 0.50 | | | | | 0.50 | | || | | vfmadd213pd %zmm26, %zmm19, %zmm26{%k4} #72.42 + 338 | 0.50 | | | | | 0.50 | | || 4.0 | | vfmadd213pd %zmm26, %zmm20, %zmm26{%k4} #72.42 + 339 | 0.50 | | | | | 0.50 | | || 4.0 | | vmulpd %zmm11, %zmm26, %zmm21 #73.42 + 340 | 0.50 | | | | | 0.50 | | || | | vmulpd %zmm9, %zmm26, %zmm23 #74.58 + 341 | 0.50 | | | | | 0.50 | | || 4.0 | | vmulpd %zmm21, %zmm26, %zmm24 #73.48 + 342 | 0.50 | | | | | 0.50 | | || 4.0 | | vmulpd %zmm24, %zmm26, %zmm22 #73.54 + 343 | 0.00 | | | | | 1.00 | | || | | vfmsub213pd %zmm10, %zmm24, %zmm26 #74.58 + 344 | 0.00 | | | | | 1.00 | | || 4.0 | | vmulpd %zmm23, %zmm22, %zmm25 #74.65 + 345 | 0.00 | | | | | 1.00 | | || 4.0 | | vmulpd %zmm26, %zmm25, %zmm30 #74.71 + 346 | 0.00 | | | | | 1.00 | | || | | vfmadd231pd %zmm28, %zmm30, %zmm7{%k6} #75.21 + 347 | 0.00 | | | | | 1.00 | | || | | vfmadd231pd %zmm29, %zmm30, %zmm6{%k6} #76.21 + 348 | 0.00 | | | | | 1.00 | | || 4.0 | 4.0 | vfmadd231pd %zmm31, %zmm30, %zmm5{%k6} #77.21 + + 18.0 3.00 13.0 2.50 13.0 2.50 18.0 3.00 68.0 4 + + +Loop-Carried Dependencies Analysis Report +----------------------------------------- + 313 | 1.0 | movslq %ecx, %rcx #64.13| [313] + 348 | 4.0 | vfmadd231pd %zmm31, %zmm30, %zmm5{%k6} #77.21| [348] + 347 | 4.0 | vfmadd231pd %zmm29, %zmm30, %zmm6{%k6} #76.21| [347] + 346 | 4.0 | vfmadd231pd %zmm28, %zmm30, %zmm7{%k6} #75.21| [346] diff --git a/asm/force_aos_lt8_markers.s b/asm/force_aos_lt8_markers.s index f9ef002..1c8e3ef 100644 --- a/asm/force_aos_lt8_markers.s +++ b/asm/force_aos_lt8_markers.s @@ -355,6 +355,7 @@ computeForce: ja ..B1.38 # Prob 50% #67.9 movl $111,%ebx #IACA/OSACA START MARKER .byte 100,103,144 #IACA/OSACA START MARKER + # LLVM-MCA-BEGIN # LOE rax rdx rcx rbp rsi rdi r8 r9 r10 r11d r14d xmm6 xmm7 xmm12 ymm15 ymm16 zmm5 zmm8 zmm9 zmm10 zmm11 zmm13 zmm14 ..B1.33: # Preds ..B1.32 # Execution count [2.50e+01] @@ -415,6 +416,7 @@ computeForce: vfmadd231pd %zmm23, %zmm22, %zmm11{%k3} #80.17 movl $222,%ebx #IACA/OSACA END MARKER .byte 100,103,144 #IACA/OSACA END MARKER + # LLVM-MCA-END # LOE rax rdx rbp rsi rdi r8 r9 r10 ymm15 ymm16 zmm5 zmm8 zmm9 zmm10 zmm11 zmm13 zmm14 ..B1.38: # Preds ..B1.23 ..B1.37 ..B1.32 # Execution count [4.50e+00] diff --git a/scripts/results_soa_casclakesp2_iln1000.txt b/scripts/results_soa_casclakesp2_iln1000.txt new file mode 100644 index 0000000..303232b --- /dev/null +++ b/scripts/results_soa_casclakesp2_iln1000.txt @@ -0,0 +1,142 @@ +200,4x4x2,8,256,21.5040,6.1440,9.2160,0.7405,69.1424,34.7110,4.9587 +200,4x4x4,8,512,43.0080,12.2880,18.4320,1.4818,69.1066,34.7290,4.9613 +200,4x4x8,8,1024,86.0160,24.5760,36.8640,2.9627,69.1261,34.7191,4.9599 +200,4x4x16,8,2048,172.0320,49.1520,73.7280,5.9244,69.1378,34.7133,4.9590 +200,4x8x2,8,512,43.0080,12.2880,18.4320,1.4813,69.1298,34.7173,4.9596 +200,4x8x4,8,1024,86.0160,24.5760,36.8640,2.9633,69.1126,34.7259,4.9608 +200,4x8x8,8,2048,172.0320,49.1520,73.7280,5.9254,69.1265,34.7189,4.9598 +200,4x8x16,8,4096,344.0640,98.3040,147.4560,11.8621,69.0600,34.7524,4.9646 +200,4x16x2,8,1024,86.0160,24.5760,36.8640,2.9705,68.9438,34.8110,4.9730 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*neighbor, - int profile) -{ +// Number of times to compute the most internal loop +#ifndef INTERNAL_LOOP_NTIMES +#define INTERNAL_LOOP_NTIMES 1 +#endif + +double computeForce(Parameter *param, Atom *atom, Neighbor *neighbor) { int Nlocal = atom->Nlocal; int* neighs; MD_FLOAT cutforcesq = param->cutforce * param->cutforce; @@ -47,10 +47,6 @@ double computeForce( fz[i] = 0.0; } - if(profile) { - // LIKWID_MARKER_START("force"); - } - #pragma omp parallel for for(int i = 0; i < Nlocal; i++) { neighs = &neighbor->neighbors[i * neighbor->maxneighs]; @@ -64,20 +60,22 @@ double computeForce( // printf("%d: %d\n", i, numneighs); - for(int k = 0; k < numneighs; k++) { - int j = neighs[k]; - MD_FLOAT delx = xtmp - atom_x(j); - MD_FLOAT dely = ytmp - atom_y(j); - MD_FLOAT delz = ztmp - atom_z(j); - MD_FLOAT rsq = delx * delx + dely * dely + delz * delz; + for(int n = 0; n < INTERNAL_LOOP_NTIMES; n++) { + for(int k = 0; k < numneighs; k++) { + int j = neighs[k]; + MD_FLOAT delx = xtmp - atom_x(j); + MD_FLOAT dely = ytmp - atom_y(j); + MD_FLOAT delz = ztmp - atom_z(j); + MD_FLOAT rsq = delx * delx + dely * dely + delz * delz; - if(rsq < cutforcesq) { - MD_FLOAT sr2 = 1.0 / rsq; - MD_FLOAT sr6 = sr2 * sr2 * sr2 * sigma6; - MD_FLOAT force = 48.0 * sr6 * (sr6 - 0.5) * sr2 * epsilon; - fix += delx * force; - fiy += dely * force; - fiz += delz * force; + if(rsq < cutforcesq) { + MD_FLOAT sr2 = 1.0 / rsq; + MD_FLOAT sr6 = sr2 * sr2 * sr2 * sigma6; + MD_FLOAT force = 48.0 * sr6 * (sr6 - 0.5) * sr2 * epsilon; + fix += delx * force; + fiy += dely * force; + fiz += delz * force; + } } } @@ -86,9 +84,5 @@ double computeForce( fz[i] += fiz; } - if(profile) { - // LIKWID_MARKER_STOP("force"); - } - return 0.0; } diff --git a/src/main-stub.c b/src/main-stub.c index a884ae0..4041c2c 100644 --- a/src/main-stub.c +++ b/src/main-stub.c @@ -16,7 +16,7 @@ #define LATTICE_DISTANCE 10.0 #define NEIGH_DISTANCE 1.0 -extern double computeForce( Parameter*, Atom*, Neighbor*, int); +extern double computeForce( Parameter*, Atom*, Neighbor*); void init(Parameter *param) { param->epsilon = 1.0; @@ -188,19 +188,19 @@ int main(int argc, const char *argv[]) { DEBUG("Building neighbor lists...\n"); buildNeighbor(atom, &neighbor); DEBUG("Computing forces...\n"); - computeForce(¶m, atom, &neighbor, 0); + computeForce(¶m, atom, &neighbor); double S, E; S = getTimeStamp(); LIKWID_MARKER_START("force"); for(int i = 0; i < param.ntimes; i++) { - computeForce(¶m, atom, &neighbor, 1); + computeForce(¶m, atom, &neighbor); } LIKWID_MARKER_STOP("force"); E = getTimeStamp(); double T_accum = E-S; - const double atoms_updates_per_sec = atom->Nlocal * param.ntimes / T_accum; - const double cycles_per_atom = T_accum * freq / (atom->Nlocal * param.ntimes); + const double atoms_updates_per_sec = (double)(atom->Nlocal * INTERNAL_LOOP_NTIMES * param.ntimes) / T_accum; + const double cycles_per_atom = T_accum * freq / (double)(atom->Nlocal * param.ntimes * INTERNAL_LOOP_NTIMES); const double cycles_per_neigh = cycles_per_atom / (double)(atoms_per_unit_cell - 1); if(!csv) { diff --git a/src/main.c b/src/main.c index 564708e..6b09c8e 100644 --- a/src/main.c +++ b/src/main.c @@ -47,7 +47,7 @@ typedef enum { NUMTIMER } timertype; -extern double computeForce( Parameter*, Atom*, Neighbor*, int); +extern double computeForce( Parameter*, Atom*, Neighbor*); void init(Parameter *param) { @@ -205,7 +205,7 @@ int main (int argc, char** argv) setup(¶m, &atom, &neighbor); computeThermo(0, ¶m, &atom); - computeForce(¶m, &atom, &neighbor, 1); + computeForce(¶m, &atom, &neighbor); timer[FORCE] = 0.0; timer[NEIGH] = 0.0; @@ -221,7 +221,7 @@ int main (int argc, char** argv) timer[NEIGH] += reneighbour(¶m, &atom, &neighbor); } - timer[FORCE] += computeForce(¶m, &atom, &neighbor, 1); + timer[FORCE] += computeForce(¶m, &atom, &neighbor); finalIntegrate(¶m, &atom); if(!((n + 1) % param.nstat) && (n+1) < param.ntimes) {