A open source Quantum Monte Carlo (QMC) simulation code with six workloads using MPI.

Topdown profile shows differences among workloads but overall a moderatly high retirement rate.

AMD metrics confirm this is floating point code with a low L2 miss rate. Frontend stalls including opcache misses and icache misses are higher.

elapsed              2499.876
on_cpu               0.471          # 7.53 / 16 cores
utime                18540.133
stime                279.802
nvcsw                267253         # 87.33%
nivcsw               38781          # 12.67%
inblock              0              # 0.00/sec
onblock              612760         # 245.12/sec
cpu-clock            18820238026460 # 18820.238 seconds
task-clock           18820339009536 # 18820.339 seconds
page faults          3109375        # 165.214/sec
context switches     318172         # 16.906/sec
cpu migrations       21668          # 1.151/sec
major page faults    3045           # 0.162/sec
minor page faults    3106330        # 165.052/sec
alignment faults     0              # 0.000/sec
emulation faults     0              # 0.000/sec
branches             22461830733574 # 112.402 branches per 1000 inst
branch misses        95072047637    # 0.42% branch miss
conditional          15351486721874 # 76.821 conditional branches per 1000 inst
indirect             1594633030241  # 7.980 indirect branches per 1000 inst
cpu-cycles           81503776961511 # 1.87 GHz
instructions         216873675248429 # 2.66 IPC
slots                163024728552936 #
retiring             74147801543055 # 45.5% (45.5%)
-- ucode             223663585020   #     0.1%
-- fastpath          73924137958035 #    45.3%
frontend             33251313416882 # 20.4% (20.4%)
-- latency           15458432843526 #     9.5%
-- bandwidth         17792880573356 #    10.9%
backend              52902396193136 # 32.5% (32.5%)
-- cpu               28130036258952 #    17.3%
-- memory            24772359934184 #    15.2%
speculation          2652527659474  #  1.6% ( 1.6%)
-- branch mispredict 2312381697199  #     1.4%
-- pipeline restart  340145962275   #     0.2%
smt-contention       70637863915    #  0.0% ( 0.0%)
cpu-cycles           70056047900986 # 1.89 GHz
instructions         184301782099454 # 2.63 IPC
instructions         61443640810233 # 58.085 l2 access per 1000 inst
l2 hit from l1       3203344833251  # 1.45% l2 miss
l2 miss from l1      27545024648    #
l2 hit from l2 pf    341279478407   #
l3 hit from l2 pf    22923123161    #
l3 miss from l2 pf   1419531841     #
instructions         61414388678104 # 189.442 float per 1000 inst
float 512            124            # 0.000 AVX-512 per 1000 inst
float 256            1028           # 0.000 AVX-256 per 1000 inst
float 128            11634484218727 # 189.442 AVX-128 per 1000 inst
float MMX            0              # 0.000 MMX per 1000 inst
float scalar         7              # 0.000 scalar per 1000 inst
instructions         183320760693268 #
opcache              25758437755830 # 140.510 opcache per 1000 inst
opcache miss         8035610764180  # 31.2% opcache miss rate
l1 dTLB miss         926871253871   # 5.056 L1 dTLB per 1000 inst
l2 dTLB miss         4877453192     # 0.027 L2 dTLB per 1000 inst
instructions         216933399893634 #
icache               12980381188061 # 59.836 icache per 1000 inst
icache miss          5639705054563  # 43.4% icache miss rate
l1 iTLB miss         672008848887   # 3.098 L1 iTLB per 1000 inst
l2 iTLB miss         0              # 0.000 L2 iTLB per 1000 inst
tlb flush            614276         # 0.000 TLB flush per 1000 inst

Intel metrics confirm a low dram rate and overall have a low level of backend stalls.

elapsed              5737.400
on_cpu               0.734          # 11.74 / 16 cores
utime                67038.996
stime                300.316
nvcsw                304024         # 75.55%
nivcsw               98410          # 24.45%
inblock              318032         # 55.43/sec
onblock              509584         # 88.82/sec
cpu-clock            67339817205818 # 67339.817 seconds
task-clock           67339907346354 # 67339.907 seconds
page faults          2014512        # 29.916/sec
context switches     430696         # 6.396/sec
cpu migrations       48520          # 0.721/sec
major page faults    5995           # 0.089/sec
minor page faults    2008517        # 29.827/sec
alignment faults     0              # 0.000/sec
emulation faults     0              # 0.000/sec
branches             59500946712395 # 127.456 branches per 1000 inst
branch misses        197934244602   # 0.33% branch miss
conditional          59500946747051 # 127.456 conditional branches per 1000 inst
indirect             13124976106133 # 28.115 indirect branches per 1000 inst
slots                415180653423602 #
retiring             273696487216963 # 65.9% (65.9%) high
-- ucode             20184709555080 #     4.9%
-- fastpath          253511777661883 #    61.1%
frontend             61819690085221 # 14.9% (14.9%)
-- latency           17123034533870 #     4.1%
-- bandwidth         44696655551351 #    10.8%
backend              60638837676964 # 14.6% (14.6%) low
-- cpu               44744051942427 #    10.8%
-- memory            15894785734537 #     3.8%
speculation          17966962240492 #  4.3% ( 4.3%)
-- branch mispredict 12994602079182 #     3.1%
-- pipeline restart  4972360161310  #     1.2%
smt-contention       0              #  0.0% ( 0.0%)
cpu-cycles           208272485168282 # 2.00 GHz
instructions         843020141703026 # 4.05 IPC high
l2 access            4483162925590  # 14.309 l2 access per 1000 inst
l2 miss              43256958269    # 0.96% l2 miss
cpu-cycles           68419223332582 #  6.8% memory latency
load stalls          3123740243951  #  0.0% l1 bound
l1 miss              3242717002137  #  4.6% l2 bound
l2 miss              98796768732    #  0.1% l3 bound
l3 miss              53243773665    #  0.1% dram bound
store_stalls         1510444863594  #  2.2% store bound

Process overview shows qmcpack as the primary process

1243 processes
	725 qmcpack              59023.27   889.06
	 68 clinfo                  17.18     6.52
	174 mpirun                   8.26    22.61
	 38 vulkaninfo               1.33     1.15
	  4 vulkani:disk$0           0.14     0.13
	  6 php                      0.08     0.44
	  2 llvmpipe-0               0.07     0.07
	  2 llvmpipe-1               0.07     0.07
	  2 llvmpipe-10              0.07     0.07
	  2 llvmpipe-11              0.07     0.07
	  2 llvmpipe-12              0.07     0.07
	  2 llvmpipe-13              0.07     0.07
	  2 llvmpipe-14              0.07     0.07
	  2 llvmpipe-15              0.07     0.07
	  2 llvmpipe-2               0.07     0.07
	  2 llvmpipe-3               0.07     0.07
	  2 llvmpipe-4               0.07     0.07
	  2 llvmpipe-5               0.07     0.07
	  2 llvmpipe-6               0.07     0.07
	  2 llvmpipe-7               0.07     0.07
	  2 llvmpipe-8               0.07     0.07
	  2 llvmpipe-9               0.07     0.07
	  6 clang                    0.04     0.08
	  3 rocminfo                 0.00     0.03
	  1 lspci                    0.00     0.03
	  1 ps                       0.00     0.01
	 95 sh                       0.00     0.00
	 13 gcc                      0.00     0.00
	 12 gsettings                0.00     0.00
	  8 stat                     0.00     0.00
	  8 systemd-detect-          0.00     0.00
	  6 llvm-link                0.00     0.00
	  5 phoronix-test-s          0.00     0.00
	  4 glxinfo                  0.00     0.00
	  3 gmain                    0.00     0.00
	  2 cc                       0.00     0.00
	  2 lscpu                    0.00     0.00
	  2 setterm                  0.00     0.00
	  2 uname                    0.00     0.00
	  2 which                    0.00     0.00
	  1 date                     0.00     0.00
	  1 dconf worker             0.00     0.00
	  1 dirname                  0.00     0.00
	  1 dmesg                    0.00     0.00
	  1 dmidecode                0.00     0.00
	  1 grep                     0.00     0.00
	  1 ifconfig                 0.00     0.00
	  1 ip                       0.00     0.00
	  1 lsmod                    0.00     0.00
	  1 mktemp                   0.00     0.00
	  1 python                   0.00     0.00
	  1 python3                  0.00     0.00
	  1 qdbus                    0.00     0.00
	  1 readlink                 0.00     0.00
	  1 realpath                 0.00     0.00
	  1 sed                      0.00     0.00
	  1 sort                     0.00     0.00
	  1 stty                     0.00     0.00
	  1 systemctl                0.00     0.00
	  1 template.sh              0.00     0.00
	  1 wc                       0.00     0.00
0 processes running
47 maximum processes

Computation blocks

      175875) qmcpack          cpu=3 start=6.32  finish=34.76
        175876) mpirun           cpu=13 start=6.32  finish=34.73
          175880) mpirun           cpu=2 start=6.52  finish=34.73
          175881) mpirun           cpu=14 start=6.52  finish=6.52 
          175882) mpirun           cpu=3 start=6.54  finish=34.73
          175884) mpirun           cpu=6 start=6.64  finish=34.73
          175885) mpirun           cpu=8 start=6.64  finish=34.73
          175886) qmcpack          cpu=8 start=6.68  finish=34.72
            175894) qmcpack          cpu=13 start=6.71  finish=34.72
            175895) qmcpack          cpu=10 start=6.71  finish=34.72
          175887) qmcpack          cpu=5 start=6.68  finish=34.72
            175896) qmcpack          cpu=13 start=6.72  finish=34.72
            175897) qmcpack          cpu=4 start=6.72  finish=34.72
          175888) qmcpack          cpu=9 start=6.68  finish=34.72
            175898) qmcpack          cpu=1 start=6.72  finish=34.72
            175900) qmcpack          cpu=7 start=6.72  finish=34.72
          175889) qmcpack          cpu=14 start=6.69  finish=34.72
            175899) qmcpack          cpu=11 start=6.72  finish=34.72
            175901) qmcpack          cpu=11 start=6.73  finish=34.72
          175890) qmcpack          cpu=7 start=6.69  finish=34.72
            175902) qmcpack          cpu=11 start=6.73  finish=34.72
            175903) qmcpack          cpu=13 start=6.73  finish=34.72
          175891) qmcpack          cpu=12 start=6.70  finish=34.72
            175904) qmcpack          cpu=10 start=6.73  finish=34.72
            175905) qmcpack          cpu=14 start=6.74  finish=34.72
          175892) qmcpack          cpu=2 start=6.70  finish=34.72
            175906) qmcpack          cpu=6 start=6.74  finish=34.72
            175907) qmcpack          cpu=10 start=6.74  finish=34.72
          175893) qmcpack          cpu=0 start=6.71  finish=34.72
            175908) qmcpack          cpu=13 start=6.74  finish=34.72
            175909) qmcpack          cpu=6 start=6.75  finish=34.72