	*************************************************
	*                                               *
	*          ONE-View report generation           *
	*                                               *
	*************************************************

[MAQAO] Info: Experiment configuration summary is available adding -dbg=1 in command line

* [MAQAO] Warning: Experiment directory /beegfs/hackathon/users/eoseret/qaas_runs_test/179-075-2076/intel/miniqmc/run/oneview_runs/compilers/icx_3/oneview_results_1790771582 already exists and is reused.
           It can be replaced using --replace in the command line.
[MAQAO] Info: 
[MAQAO] Info: START THE APPLICATION PROFILING
[MAQAO] Info: -> RUNNING THE PROFILER...
[MAQAO] Info:   LPROF has already been run
[MAQAO] Info: STOP THE APPLICATION PROFILING
[MAQAO] Info: 
[MAQAO] Info: START FUNCTIONS AND LOOPS ANALYSIS ...
[MAQAO] Info: STOP FUNCTIONS AND LOOPS ANALYSIS ...
[MAQAO] Info: 
[MAQAO] Info: START THE REPORT GENERATION
[MAQAO] Info: -> ONE-VIEW EXPERIMENT DIRECTORY: /beegfs/hackathon/users/eoseret/qaas_runs_test/179-075-2076/intel/miniqmc/run/oneview_runs/compilers/icx_3/oneview_results_1790771582


+====================================================================================================================+
+                                                    1  -  GLOBAL                                                    +
+====================================================================================================================+


+--------------------------------------------------------------------------------------------------------------------+
+                                             1.1  -  Experiment Summary                                             +
+--------------------------------------------------------------------------------------------------------------------+

  Application:			/beegfs/hackathon/users/eoseret/qaas_runs_test/179-075-2076/intel/miniqmc/run/binaries/icx_3/exec
  Timestamp:			2026-09-30 14:33:02
  Universal Timestamp:		1790771582
  Experiment Type:		MPI; OpenMP; Throughput; 
  Machine:			gmz16.benchmarkcenter.megware.com
  Architecture:			x86_64
  Micro Architecture:		ZEN_V4
  Model Name:			AMD EPYC 9654 96-Core Processor
  Cache Size:			1024 KB
  Number of Cores:		96
  OS Version:			Linux 5.14.0-687.29.1.el9_8.x86_64 #1 SMP PREEMPT_DYNAMIC Thu Jul 23 16:18:48 EDT 2026
  Compilation Options:		
		exec:  --driver-mode=g++ --intel -D ADD_ -D H5_USE_16_API -D HAVE_CONFIG_H -D HAVE_MKL -D MPICH_SKIP_MPICXX -D OMPI_SKIP_MPICXX -D OPENMP_NO_COMPLEX -D _MPICC_H -D restrict=__restrict__ -I /beegfs/hackathon/users/eoseret/qaas_runs_test/179-075-2076/intel/miniqmc/build/miniqmc/src -I /beegfs/hackathon/users/eoseret/qaas_runs_test/179-075-2076/intel/miniqmc/build/icx_3/src -I /beegfs/hackathon/users/eoseret/qaas_runs_test/179-075-2076/intel/miniqmc/build/miniqmc/src/Particle -I /beegfs/hackathon/users/eoseret/qaas_runs_test/179-075-2076/intel/miniqmc/build/miniqmc/src/Utilities -I /beegfs/hackathon/users/eoseret/qaas_runs_test/179-075-2076/intel/miniqmc/build/miniqmc/src/Platforms -I /beegfs/hackathon/users/eoseret/qaas_runs_test/179-075-2076/intel/miniqmc/build/miniqmc/src/Platforms/Host -O3 -O3 -march=znver4 -mprefer-vector-width=256 -g -fno-omit-frame-pointer -fcf-protection=none -no-pie -grecord-command-line -fiopenmp -fstrict-aliasing -O3 -D NDEBUG -std=c++17 -MD -MT src/QMCWaveFunctions/CMakeFiles/qmcwfs.dir/SPOSet_builder.cpp.o -MF src/QMCWaveFunctions/CMakeFiles/qmcwfs.dir/SPOSet_builder.cpp.o.d -o src/QMCWaveFunctions/CMakeFiles/qmcwfs.dir/SPOSet_builder.cpp.o -c /beegfs/hackathon/users/eoseret/qaas_runs_test/179-075-2076/intel/miniqmc/build/miniqmc/src/QMCWaveFunctions/SPOSet_builder.cpp -I /cluster/hpcx/2.22/ompi5-ifx-mt/include -I /cluster/hpcx/2.22/ompi5-ifx-mt/include/openmpi -fveclib=SVML 
  Number of processes observed:	8
  Number of threads observed:	192
  MAQAO version:		2026.1.0
  MAQAO build:			6d1be1d51c1e63266254997eb301734a7264775d::20260810-150026




+--------------------------------------------------------------------------------------------------------------------+
+                                               1.2  -  Global Metrics                                               +
+--------------------------------------------------------------------------------------------------------------------+

  Total Time:				175.91 s
  Max (Thread Active Time):		175.15 s
  Average Active Time:			171.08 s
  Activity Ratio:			97.6 %
  Average number of active threads:	186.726
  Affinity Stability:			99.6 %
  Time spent in analyzed loops:		44.9 %
  Time spent in analyzed innermost loops: 44.7 %
  Time spent in user code:		45.4 %
  Compilation Options Score:		100
  Array Access Efficiency:		91.8 %

   Potential Speedups
  ----------------------------------------------------
  Perfect Flow Complexity:		1.00
  Perfect OpenMP/MPI/Pthread/TBB:	1.00
  Perfect OpenMP/MPI/Pthread/TBB + Load Distribution:	1.03
  If No Scalar Integer:
      Potential Speedup:		1.02
      Nb Loops to get 80%:		3
  If FP Vectorized:
      Potential Speedup:		1.04
      Nb Loops to get 80%:		1
  If Fully Vectorized:
      Potential Speedup:		1.10
      Nb Loops to get 80%:		5
  If Only FP Arithmetic:
      Potential Speedup:		1.06
      Nb Loops to get 80%:		4




+--------------------------------------------------------------------------------------------------------------------+
+                                             1.3  -  Potential Speedups                                             +
+--------------------------------------------------------------------------------------------------------------------+

  If No Scalar Integer:
      Number of loops   | 1      | 8      | 17     | 25     | 34     | 
      Cumulated Speedup | 1.0168 | 1.0234 | 1.0237 | 1.0237 | 1.0237 | 
  Top 5 loops:
    exec - 1977:	1.0168
    exec - 445:	1.0189
    exec - 1008:	1.0209
    exec - 432:	1.0219
    exec - 401:	1.0225

  If FP Vectorized:
      Number of loops   | 1      | 8      | 17     | 25     | 34     | 
      Cumulated Speedup | 1.0318 | 1.0383 | 1.0393 | 1.0393 | 1.0393 | 
  Top 5 loops:
    exec - 2229:	1.0318
    exec - 1124:	1.0343
    exec - 1109:	1.0359
    exec - 1019:	1.0367
    exec - 432:	1.0372

  If Fully Vectorized:
      Number of loops   | 1      | 8      | 17     | 25     | 34     | 
      Cumulated Speedup | 1.0364 | 1.0896 | 1.0952 | 1.0973 | 1.0981 | 
  Top 5 loops:
    exec - 2229:	1.0364
    exec - 1977:	1.0534
    exec - 445:	1.0698
    exec - 401:	1.0773
    exec - 1124:	1.0816

  If Only FP Arithmetic:
      Number of loops   | 1      | 8      | 17     | 25     | 34     | 
      Cumulated Speedup | 1.0182 | 1.0541 | 1.0567 | 1.0570 | 1.0570 | 
  Top 5 loops:
    exec - 1977:	1.0182
    exec - 445:	1.0365
    exec - 401:	1.0453
    exec - 1008:	1.0491
    exec - 432:	1.0522



+====================================================================================================================+
+                                                   2  -  SUMMARY                                                    +
+====================================================================================================================+


+--------------------------------------------------------------------------------------------------------------------+
+                                             2.1  -  EXPERIMENT QUALITY                                             +
+--------------------------------------------------------------------------------------------------------------------+

  [4 / 4] Application profile is long enough (175.15 s)
To have good quality measurements, it is advised that the application profiling time is greater than 10 seconds.

  [3 / 3] Most of time spent in analyzed modules comes from functions with source/debug info
-g option gives access to debugging informations, such are source locations.

  [2.9412585855651 / 3] Most of time spent in analyzed modules (98.04%) comes from functions compiled with architecture specialization option
-march=znver4


  [3 / 3] Most of time spent in analyzed modules comes from functions with compilation options informations and
-fno-omit-frame-pointer is present
-fno-omit-frame-pointer improves the accuracy of callchains found during the application profiling.

  [3 / 3] Optimization level option is correctly used


  [3 / 3] Host configuration allows retrieval of all necessary metrics.


  [2 / 2] Application is correctly profiled ("Others" category represents 0.03 % of the execution time)
To have a representative profiling, it is advised that the category "Others" represents less than 20% of the execution
time in order to analyze as much as possible of the user code

  [1 / 1] Lstopo present. The Topology lstopo report will be generated.



+--------------------------------------------------------------------------------------------------------------------+
+                                                2.2  -  CODE QUALITY                                                +
+--------------------------------------------------------------------------------------------------------------------+

  [4 / 4] Enough time of the experiment time spent in analyzed loops (44.94%)
If the time spent in analyzed loops is less than 30%, standard loop optimizations will have a limited impact on
application performances.

  [4 / 4] Threads activity is good
On average, more than 97.25% of observed threads are actually active 

  [4 / 4] CPU activity is good
CPU cores are active 97.59% of time

  [4 / 4] Loop profile is not flat
At least one loop coverage is greater than 4% (23.30%), representing an hotspot for the application

  [4 / 4] Enough time of the experiment time spent in analyzed innermost loops (44.67%)
If the time spent in analyzed innermost loops is less than 15%, standard innermost loop optimizations such as
vectorisation will have a limited impact on application performances.

  [4 / 4] Affinity is good (99.61%)
Threads are not migrating to CPU cores: probably successfully pinned

  [3 / 3] Less than 10% (0.00%) is spend in BLAS1 operations
It could be more efficient to inline by hand BLAS1 operations

  [3 / 3] Functions mostly use all threads
Functions running on a reduced number of threads (typically sequential code) cover less than 10% of application
walltime (0.67%)

  [3 / 3] Cumulative Outermost/In between loops coverage (0.27%) lower than cumulative innermost loop coverage (44.67%)
Having cumulative Outermost/In between loops coverage greater than cumulative innermost loop coverage will make loop
optimization more complex

  [2 / 2] Less than 10% (0.00%) is spend in BLAS2 operations
BLAS2 calls usually could make a poor cache usage and could benefit from inlining.

  [2 / 2] Less than 10% (0.00%) is spend in Libm/SVML (special functions)



+--------------------------------------------------------------------------------------------------------------------+
+                                               2.3  -  LOOPS OVERVIEW                                               +
+--------------------------------------------------------------------------------------------------------------------+

  Top 5 loops:
   + exec - 1002:
     analysis: Execution Time: 23 % - Vectorization Ratio: 100.00 % - Vector Length Use: 50.00 %

   + exec - 1015:
     analysis: Execution Time: 7 % - Vectorization Ratio: 100.00 % - Vector Length Use: 50.00 %
     Data Access Issues: 0
        [0] [SA] Inefficient vectorization: more than 10% of the vector loads instructions are unaligned - When
            allocating arrays, don’t forget to align them. There are 0 issues ( = arrays) costing 2 points each

   + exec - 2229:
     analysis: Execution Time: 4 % - Vectorization Ratio: 12.77 % - Vector Length Use: 14.10 %
     Loop Computation Issues: 4
        [4] [SA] Presence of expensive FP instructions - Perform hoisting, change algorithm, use SVML or proper
            numerical library or perform value profiling (count the number of distinct input values). There are 1
            issues (= instructions) costing 4 points each.

   + exec - 1977:
     analysis: Execution Time: 1 % - Vectorization Ratio: 0.00 % - Vector Length Use: 12.50 %
     Loop Computation Issues: 2
        [2] [SA] Presence of a large number of scalar integer instructions - Simplify loop structure, perform loop
            splitting or perform unroll and jam. This issue costs 2 points.
     Data Access Issues: 22
        [4] [SA] Presence of constant non unit stride data access - Use array restructuring, perform loop interchange
            or use gather instructions to lower a bit the cost. There are 2 issues ( = data accesses) costing 2 point
            each.
        [16] [SA] Presence of indirect accesses - Use array restructuring or gather instructions to lower the cost.
            There are 4 issues ( = indirect data accesses) costing 4 point each.
        [2] [SA] More than 20% of the loads are accessing the stack - Perform loop splitting to decrease pressure on
            registers. This issue costs 2 points.
     Vectorization Roadblocks: 20
        [4] [SA] Presence of constant non unit stride data access - Use array restructuring, perform loop interchange
            or use gather instructions to lower a bit the cost. There are 2 issues ( = data accesses) costing 2 point
            each.
        [16] [SA] Presence of indirect accesses - Use array restructuring or gather instructions to lower the cost.
            There are 4 issues ( = indirect data accesses) costing 4 point each.

   + exec - 445 :
     analysis: Execution Time: 1 % - Vectorization Ratio: 94.12 % - Vector Length Use: 47.43 %
     Loop Computation Issues: 2
        [2] [SA] Presence of a large number of scalar integer instructions - Simplify loop structure, perform loop
            splitting or perform unroll and jam. This issue costs 2 points.
     Data Access Issues: 17
        [12] [SA] Presence of indirect accesses - Use array restructuring or gather instructions to lower the cost.
            There are 3 issues ( = indirect data accesses) costing 4 point each.
        [0] [SA] Inefficient vectorization: more than 10% of the vector loads instructions are unaligned - When
            allocating arrays, don’t forget to align them. There are 0 issues ( = arrays) costing 2 points each
        [5] [SA] Presence of special instructions executing on a single port (COMPRESS/EXPAND, BROADCAST) - Simplify
            data access and try to get stride 1 access. There are 5 issues (= instructions) costing 1 point each.
     Vectorization Roadblocks: 12
        [12] [SA] Presence of indirect accesses - Use array restructuring or gather instructions to lower the cost.
            There are 3 issues ( = indirect data accesses) costing 4 point each.
     Inefficient Vectorization: 7
        [5] [SA] Presence of special instructions executing on a single port (COMPRESS/EXPAND, BROADCAST) - Simplify
            data access and try to get stride 1 access. There are 5 issues (= instructions) costing 1 point each.
        [2] [SA] Inefficient vectorization: use of masked instructions - Simplify control structure. The issue costs 2
            points.



+====================================================================================================================+
+                                                 3  -  APPLICATION                                                  +
+====================================================================================================================+


+--------------------------------------------------------------------------------------------------------------------+
+                                               3.1  -  Categorization                                               +
+--------------------------------------------------------------------------------------------------------------------+

   Category | IO     | Exe    | System  | Others  | Memory | String | MPI   | TBB   | OMP   | Pthread | Math  |
  ----------+--------+--------+---------+---------+--------+--------+-------+-------+-------+---------+-------+
   Time (%) | 0.00   | 45.35  | 0.68    | 0.03    | 0.87   | 0.68   | 0.00  | 0.00  | 0.89  | 0.00    | 51.50 |




+--------------------------------------------------------------------------------------------------------------------+
+                                          3.2  -  Function Based Profiling                                          +
+--------------------------------------------------------------------------------------------------------------------+

   Buckets                    | Nb Functions              | Coverage                  | Cumulated Coverage        |
  ----------------------------+---------------------------+---------------------------+---------------------------+
   > 8%                       | 5                         | 81.06                     | 81.06                     |
   4% to 8%                   | 1                         | 4.73                      | 85.79                     |
   2% to 4%                   | 0                         | 0.00                      | 85.79                     |
   1% to 2%                   | 2                         | 3.87                      | 89.66                     |
   0.5% to 1%                 | 9                         | 6.74                      | 96.40                     |
   0.25% to 0.5%              | 4                         | 1.57                      | 97.97                     |
   0.125% to 0.25%            | 3                         | 0.49                      | 98.46                     |
   < 0.125%                   | 73                        | 1.35                      | 99.81                     |




+--------------------------------------------------------------------------------------------------------------------+
+                                            3.3  -  Loop Based Profiling                                            +
+--------------------------------------------------------------------------------------------------------------------+

   Buckets                    | Nb Loops                  | Coverage                  | Cumulated Coverage        |
  ----------------------------+---------------------------+---------------------------+---------------------------+
   > 8%                       | 1                         | 23.30                     | 23.30                     |
   4% to 8%                   | 2                         | 12.64                     | 35.93                     |
   2% to 4%                   | 0                         | 0.00                      | 35.93                     |
   1% to 2%                   | 2                         | 3.80                      | 39.74                     |
   0.5% to 1%                 | 2                         | 1.79                      | 41.53                     |
   0.25% to 0.5%              | 5                         | 2.00                      | 43.53                     |
   0.125% to 0.25%            | 2                         | 0.42                      | 43.95                     |
   < 0.125%                   | 42                        | 0.72                      | 44.67                     |


+====================================================================================================================+
+                                                  4  -  FUNCTIONS                                                   +
+====================================================================================================================+


+--------------------------------------------------------------------------------------------------------------------+
+                                              4.1  -  Top 10 Functions                                              +
+--------------------------------------------------------------------------------------------------------------------+

   Function                                               | Module              | Coverage (%)   | Time (s)       |
  --------------------------------------------------------+---------------------+----------------+----------------+
   miniqmcreference::einspline_spo_ref<double>::evalua... | exec                | 23.40          | 40.03          |
   mkl_blas_def_dgemm_kernel_zen                          | libmkl_def.so.3     | 20.31          | 34.74          |
   mkl_blas_def_dgemm_pst                                 | libmkl_def.so.3     | 17.71          | 30.29          |
   mkl_blas_def_dgemm_copybn_bdz                          | libmkl_def.so.3     | 11.00          | 18.82          |
   miniqmcreference::einspline_spo_ref<double>::evalua... | exec                | 8.65           | 14.80          |
   qmcplusplus::SoaDistanceTableABOMPTarget<double, 3u... | exec                | 4.73           | 8.09           |
   qmcplusplus::SoaDistanceTableAAOMPTarget<double, 3u... | exec                | 2.00           | 3.42           |
   miniqmcreference::TwoBodyJastrowRef<qmcplusplus::Bs... | exec                | 1.88           | 3.21           |
   void qmcplusplus::DTD_BConds<double, 3u, 40>::compu... | exec                | 0.96           | 1.64           |
   qmcplusplus::BsplineFunctor<double>::evaluateVGL(in... | exec                | 0.88           | 1.51           |


+====================================================================================================================+
+                                                    5  -  LOOPS                                                     +
+====================================================================================================================+


+--------------------------------------------------------------------------------------------------------------------+
+                                                5.1  -  Top 10 Loops                                                +
+--------------------------------------------------------------------------------------------------------------------+

   Loop Id        | Module              | Source Location                                        | Coverage (%)   |
  ----------------+---------------------+--------------------------------------------------------+----------------+
   1002           | exec                | MultiBsplineRef.hpp:68-70                              | 23.30          |
   1015           | exec                | MultiBsplineRef.hpp:242-262                            | 7.96           |
   2229           | exec                | SoaDistanceTableABOMPTarget.h:228-228,ParticleBCond... | 4.68           |
   1977           | exec                | SoaDistanceTableAAOMPTarget.h:440-442,OhmmsVector.h... | 1.99           |
   445            | exec                | BsplineFunctor.h:236-241                               | 1.81           |
   1481           | exec                | ParticleBConds3DSoa.h:235-256                          | 0.96           |
   401            | exec                | BsplineFunctor.h:291-297                               | 0.84           |
   1124           | exec                | inner_product.hpp:82-83,DiracDeterminantRef.cpp:157... | 0.49           |
   432            | exec                | TwoBodyJastrowRef.h:342-347                            | 0.48           |
   1008           | exec                | einspline_spo_ref.hpp:223-227,stl_vector.h:1046-104... | 0.41           |





+====================================================================================================================+
+                                                     6  -  CQA                                                      +
+====================================================================================================================+


+--------------------------------------------------------------------------------------------------------------------+
+                                                   6.1  -  Loops                                                    +
+--------------------------------------------------------------------------------------------------------------------+





      6.1.1  -  Loop 1002 from exec
  ==========================================================================================================

The loop is defined in /beegfs/hackathon/users/eoseret/qaas_runs_test/179-075-2076/intel/miniqmc/build/miniqmc/src/Numerics/Spline2/MultiBsplineRef.hpp:68-70.

It is main loop of related source loop which is unrolled by 4 (including vectorization).

      6.1.1.1  -  Path 1
  ----------------------------------------------------------------------------------------------------------

60% of peak computational performance is used (14.40 out of 24.00 FLOP per cycle (GFLOPS @ 1GHz))

      6.1.1.1.1  -  Vectorization
  ----------------------------------------------------------------------------------------------------------

Your loop is vectorized, but using only 256 out of 512 bits (AVX/AVX2 instructions on AVX-512 processors).
<<image_4x64_512>>

Details
All SSE/AVX instructions are used in vector version (process two or more data elements in vector registers).



      6.1.1.1.2  -  Execution units bottlenecks
  ----------------------------------------------------------------------------------------------------------

Performance is limited by execution of FP multiply or FMA (fused multiply-add) operations (the FP multiply/FMA unit is a bottleneck).

By removing all these bottlenecks, you can lower the cost of an iteration from 2.50 to 2.00 cycles (1.25x speedup).


Workaround
Reduce the number of FP multiply/FMA instructions




      6.1.1.1.3  -  512-bits vectorization
  ----------------------------------------------------------------------------------------------------------

On some x86 processors supporting 512-bits vectorization, compilers are often too conservative and limit vectorization to 256 bits. Performance can then be improved by enforcing 512-bits vectorization, especially with many vectorized and high trip count loops. 512-bits vectorization performance overhead (compared to 256-bits) is generally lower on newer processors.


Workaround
Recompile with -mprefer-vector-width=512


      6.1.1.1.4  -  FMA
  ----------------------------------------------------------------------------------------------------------

Detected 16 FMA (fused multiply-add) operations.




      6.1.1.1.5  -  Vector unaligned load/store instructions
  ----------------------------------------------------------------------------------------------------------

Detected 1 optimal vector unaligned load/store instructions.


Details
 - VMOVUPD: 1 occurrences<<list_path_1_vec_align_1>>


Workaround
Use vector aligned instructions:
 1) align your arrays on 64 bytes boundaries: replace { void *p = malloc (size); } with { void *p; posix_memalign (&p, 64, size); }.
 2) inform your compiler that your arrays are vector aligned: if array 'foo' is 64 bytes-aligned, define a pointer 'p_foo' as __builtin_assume_aligned (foo, 64) and use it instead of 'foo' in the loop.
<<image_vec_align>>


      6.1.1.1.6  -  Type of elements and instruction set
  ----------------------------------------------------------------------------------------------------------

5 AVX instructions are processing arithmetic or math operations on double precision FP elements in vector mode (four at a time).



      6.1.1.1.7  -  Matching between your loop (in the source code) and the binary loop
  ----------------------------------------------------------------------------------------------------------

The binary loop is composed of 36 FP arithmetical operations:
 - 16: addition or subtraction (all inside FMA instructions)
 - 20: multiply (16 inside FMA instructions)
The binary loop is loading 160 bytes (20 double precision FP elements).
The binary loop is storing 32 bytes (4 double precision FP elements).


      6.1.1.1.8  -  Arithmetic intensity
  ----------------------------------------------------------------------------------------------------------

Arithmetic intensity is 0.19 FP operations per loaded or stored byte.







      6.1.2  -  Loop 1015 from exec
  ==========================================================================================================

The loop is defined in /beegfs/hackathon/users/eoseret/qaas_runs_test/179-075-2076/intel/miniqmc/build/miniqmc/src/Numerics/Spline2/MultiBsplineRef.hpp:242-262.

It is main loop of related source loop which is unrolled by 4 (including vectorization).

      6.1.2.1  -  Path 1
  ----------------------------------------------------------------------------------------------------------

60% of peak computational performance is used (14.61 out of 24.00 FLOP per cycle (GFLOPS @ 1GHz))

      6.1.2.1.1  -  Vectorization
  ----------------------------------------------------------------------------------------------------------

Your loop is vectorized, but using only 256 out of 512 bits (AVX/AVX2 instructions on AVX-512 processors).
<<image_4x64_512>>

Details
All SSE/AVX instructions are used in vector version (process two or more data elements in vector registers).



      6.1.2.1.2  -  Execution units bottlenecks
  ----------------------------------------------------------------------------------------------------------

Performance is limited by execution of FP multiply or FMA (fused multiply-add) operations (the FP multiply/FMA unit is a bottleneck).

By removing all these bottlenecks, you can lower the cost of an iteration from 11.50 to 9.50 cycles (1.21x speedup).


Workaround
Reduce the number of FP multiply/FMA instructions




      6.1.2.1.3  -  512-bits vectorization
  ----------------------------------------------------------------------------------------------------------

On some x86 processors supporting 512-bits vectorization, compilers are often too conservative and limit vectorization to 256 bits. Performance can then be improved by enforcing 512-bits vectorization, especially with many vectorized and high trip count loops. 512-bits vectorization performance overhead (compared to 256-bits) is generally lower on newer processors.


Workaround
Recompile with -mprefer-vector-width=512


      6.1.2.1.4  -  FMA
  ----------------------------------------------------------------------------------------------------------

Detected 76 FMA (fused multiply-add) operations.




      6.1.2.1.5  -  Vector unaligned load/store instructions
  ----------------------------------------------------------------------------------------------------------

Detected 21 optimal vector unaligned load/store instructions.


Details
 - VMOVUPD: 21 occurrences<<list_path_1_vec_align_1>>


Workaround
Use vector aligned instructions:
 1) align your arrays on 64 bytes boundaries: replace { void *p = malloc (size); } with { void *p; posix_memalign (&p, 64, size); }.
 2) inform your compiler that your arrays are vector aligned: if array 'foo' is 64 bytes-aligned, define a pointer 'p_foo' as __builtin_assume_aligned (foo, 64) and use it instead of 'foo' in the loop.
<<image_vec_align>>


      6.1.2.1.6  -  Type of elements and instruction set
  ----------------------------------------------------------------------------------------------------------

23 AVX instructions are processing arithmetic or math operations on double precision FP elements in vector mode (four at a time).



      6.1.2.1.7  -  Matching between your loop (in the source code) and the binary loop
  ----------------------------------------------------------------------------------------------------------

The binary loop is composed of 168 FP arithmetical operations:
 - 76: addition or subtraction (all inside FMA instructions)
 - 92: multiply (76 inside FMA instructions)
The binary loop is loading 448 bytes (56 double precision FP elements).
The binary loop is storing 320 bytes (40 double precision FP elements).


      6.1.2.1.8  -  Arithmetic intensity
  ----------------------------------------------------------------------------------------------------------

Arithmetic intensity is 0.22 FP operations per loaded or stored byte.







      6.1.3  -  Loop 2229 from exec
  ==========================================================================================================

The loop is defined in:
 - /beegfs/hackathon/users/eoseret/qaas_runs_test/179-075-2076/intel/miniqmc/build/miniqmc/src/Particle/SoaDistanceTableABOMPTarget.h:228
 - /beegfs/hackathon/users/eoseret/qaas_runs_test/179-075-2076/intel/miniqmc/build/miniqmc/src/Particle/Lattice/ParticleBConds3DSoa.h:280-298


The related source loop is not unrolled or unrolled with no peel/tail loop.

      6.1.3.1  -  Path 1
  ----------------------------------------------------------------------------------------------------------

17% of peak computational performance is used (4.09 out of 24.00 FLOP per cycle (GFLOPS @ 1GHz))

      6.1.3.1.1  -  Vectorization
  ----------------------------------------------------------------------------------------------------------

Your loop is probably not vectorized.
Only 14% of vector register length is used (average across all SSE/AVX instructions).
By vectorizing your loop, you can lower the cost of an iteration from 11.00 to 2.75 cycles (4.00x speedup).

Details
Store and arithmetical SSE/AVX instructions are used in scalar version (process only one data element in vector registers).
Since your execution units are vector units, only a vectorized loop can use their full power.


Workaround
 - Try another compiler or update/tune your current one:
  * recompile with ffast-math (included in Ofast) to extend loop vectorization to FP reductions.
 - Remove inter-iterations dependences from your loop and make it unit-stride:
  * If your arrays have 2 or more dimensions, check whether elements are accessed contiguously and, otherwise, try to permute loops accordingly:
C storage order is row-major: for(i) for(j) a[j][i] = b[j][i]; (slow, non stride 1) => for(i) for(j) a[i][j] = b[i][j]; (fast, stride 1)<<image_row_maj>>
  * If your loop streams arrays of structures (AoS), try to use structures of arrays instead (SoA):
for(i) a[i].x = b[i].x; (slow, non stride 1) => for(i) a.x[i] = b.x[i]; (fast, stride 1)



      6.1.3.1.2  -  Execution units bottlenecks
  ----------------------------------------------------------------------------------------------------------

Performance is limited by execution of FP multiply or FMA (fused multiply-add) operations (the FP multiply/FMA unit is a bottleneck).


Workaround
Reduce the number of FP multiply/FMA instructions




      6.1.3.1.3  -  FMA
  ----------------------------------------------------------------------------------------------------------

Detected 14 FMA (fused multiply-add) operations.
Presence of both ADD/SUB and MUL operations.

Workaround
Try to change order in which elements are evaluated (using parentheses) in arithmetic expressions containing both ADD/SUB and MUL operations to enable your compiler to generate FMA instructions wherever possible.
For instance a + b*c is a valid FMA (MUL then ADD).
However (a+b)* c cannot be translated into an FMA (ADD then MUL).




      6.1.3.1.4  -  Type of elements and instruction set
  ----------------------------------------------------------------------------------------------------------

34 SSE or AVX instructions are processing arithmetic or math operations on double precision FP elements in scalar mode (one at a time).



      6.1.3.1.5  -  Matching between your loop (in the source code) and the binary loop
  ----------------------------------------------------------------------------------------------------------

The binary loop is composed of 45 FP arithmetical operations:
 - 23: addition or subtraction (14 inside FMA instructions)
 - 21: multiply (14 inside FMA instructions)
 - 1: square root
The binary loop is loading 24 bytes (3 double precision FP elements).
The binary loop is storing 32 bytes (4 double precision FP elements).


      6.1.3.1.6  -  Arithmetic intensity
  ----------------------------------------------------------------------------------------------------------

Arithmetic intensity is 0.80 FP operations per loaded or stored byte.







      6.1.4  -  Loop 1977 from exec
  ==========================================================================================================

The loop is defined in:
 - /beegfs/hackathon/users/eoseret/qaas_runs_test/179-075-2076/intel/miniqmc/build/miniqmc/src/Particle/SoaDistanceTableAAOMPTarget.h:440-442
 - /beegfs/hackathon/users/eoseret/qaas_runs_test/179-075-2076/intel/miniqmc/build/miniqmc/src/Numerics/OhmmsPETE/OhmmsVector.h:223
 - /beegfs/hackathon/users/eoseret/qaas_runs_test/179-075-2076/intel/miniqmc/build/miniqmc/src/Numerics/OhmmsPETE/VectorSoAContainer.h:244,263


The related source loop is not unrolled or unrolled with no peel/tail loop.

      6.1.4.1  -  Path 1
  ----------------------------------------------------------------------------------------------------------

0% of peak computational performance is used (0.00 out of 48.00 FLOP per cycle (GFLOPS @ 1GHz))

      6.1.4.1.1  -  Code clean check
  ----------------------------------------------------------------------------------------------------------

Detected a slowdown caused by scalar integer instructions (typically used for address computation).
By removing them, you can lower the cost of an iteration from 9.67 to 1.67 cycles (5.80x speedup).

Workaround
 - Try to reorganize arrays of structures to structures of arrays
 - Consider to permute loops (see vectorization gain report)



      6.1.4.1.2  -  Vectorization
  ----------------------------------------------------------------------------------------------------------

Your loop is not vectorized.
8 data elements could be processed at once in vector registers.
By vectorizing your loop, you can lower the cost of an iteration from 9.67 to 2.08 cycles (4.64x speedup).

Details
All SSE/AVX instructions are used in scalar version (process only one data element in vector registers).
Since your execution units are vector units, only a vectorized loop can use their full power.


Workaround
 - Try another compiler or update/tune your current one:
  * recompile with ffast-math (included in Ofast) to extend loop vectorization to FP reductions.
 - Remove inter-iterations dependences from your loop and make it unit-stride:
  * If your arrays have 2 or more dimensions, check whether elements are accessed contiguously and, otherwise, try to permute loops accordingly:
C storage order is row-major: for(i) for(j) a[j][i] = b[j][i]; (slow, non stride 1) => for(i) for(j) a[i][j] = b[i][j]; (fast, stride 1)<<image_row_maj>>
  * If your loop streams arrays of structures (AoS), try to use structures of arrays instead (SoA):
for(i) a[i].x = b[i].x; (slow, non stride 1) => for(i) a.x[i] = b.x[i]; (fast, stride 1)



      6.1.4.1.3  -  Execution units bottlenecks
  ----------------------------------------------------------------------------------------------------------

Performance is limited by:
 - reading data from caches/RAM (load units are a bottleneck)
 - writing data to caches/RAM (the store unit is a bottleneck)

By removing all these bottlenecks, you can lower the cost of an iteration from 9.67 to 7.17 cycles (1.35x speedup).


Workaround
 - Read less array elements
 - Write less array elements
 - Provide more information to your compiler:
  * hardcode the bounds of the corresponding 'for' loop




No data for this section



      6.1.4.1.4  -  Slow data structures access
  ----------------------------------------------------------------------------------------------------------

Detected data structures (typically arrays) that cannot be efficiently read/written

Details
 - Constant non-unit stride: 2 occurrence(s)
 - Irregular (variable stride) or indirect: 4 occurrence(s)
Non-unit stride (uncontiguous) accesses are not efficiently using data caches


Workaround
 - Try to reorganize arrays of structures to structures of arrays
 - Consider to permute loops (see vectorization gain report)
 - Try to remove indirect accesses. If applicable, precompute elements out of the innermost loop.



      6.1.4.1.5  -  Type of elements and instruction set
  ----------------------------------------------------------------------------------------------------------

No instructions are processing arithmetic or math operations on FP elements. This loop is probably writing/copying data or processing integer elements.


      6.1.4.1.6  -  Matching between your loop (in the source code) and the binary loop
  ----------------------------------------------------------------------------------------------------------

The binary loop does not contain any FP arithmetical operations.
The binary loop is loading 168 bytes.
The binary loop is storing 64 bytes.


      6.1.4.1.7  -  Unroll opportunity
  ----------------------------------------------------------------------------------------------------------

Loop is data access bound.

Workaround
Unroll your loop if trip count is significantly higher than target unroll factor and if some data references are common to consecutive iterations. This can be done manually. Or with the unroll (resp. unroll_and_jam) directive on top of the inner (resp. surrounding) loop. You can enforce an unroll factor: #pragma unroll_and_jam N, unroll_and_jam(N), unroll N or unroll(N)







      6.1.5  -  Loop 445 from exec
  ==========================================================================================================

The loop is defined in /beegfs/hackathon/users/eoseret/qaas_runs_test/179-075-2076/intel/miniqmc/build/miniqmc/src/QMCWaveFunctions/Jastrow/BsplineFunctor.h:236-241.

It is main loop of related source loop which is unrolled by 16 (including vectorization).

      6.1.5.1  -  Path 1
  ----------------------------------------------------------------------------------------------------------

Warnings:
 - The number of fused uops of the instruction [VPCMPNEQD	%YMM1,%YMM8,%K0] is unknown
 - The number of fused uops of the instruction [VPCMPNEQD	%YMM1,%YMM9,%K3] is unknown

0% of peak computational performance is used (0.00 out of 24.00 FLOP per cycle (GFLOPS @ 1GHz))

      6.1.5.1.1  -  Code clean check
  ----------------------------------------------------------------------------------------------------------

Detected a slowdown caused by scalar integer instructions (typically used for address computation).
By removing them, you can lower the cost of an iteration from 47.83 to 42.50 cycles (1.13x speedup).

Workaround
 - Try to reorganize arrays of structures to structures of arrays
 - Consider to permute loops (see vectorization gain report)



      6.1.5.1.2  -  Vectorization
  ----------------------------------------------------------------------------------------------------------

Your loop is highly vectorized.
Only 47% of vector register length is used (average across all SSE/AVX instructions).


Details
94% of SSE/AVX instructions are used in vector version (process two or more data elements in vector registers):
 - 85% of SSE/AVX instructions that are not load, store, addition, subtraction nor multiply instructions are used in vector version.


Workaround
Read the "512-bits vectorization" report at "Potential" confidence level.


      6.1.5.1.3  -  Execution units bottlenecks
  ----------------------------------------------------------------------------------------------------------

Found no such bottlenecks but see expert reports for more complex bottlenecks.




      6.1.5.1.4  -  512-bits vectorization
  ----------------------------------------------------------------------------------------------------------

On some x86 processors supporting 512-bits vectorization, compilers are often too conservative and limit vectorization to 256 bits. Performance can then be improved by enforcing 512-bits vectorization, especially with many vectorized and high trip count loops. 512-bits vectorization performance overhead (compared to 256-bits) is generally lower on newer processors.


Workaround
Recompile with -mprefer-vector-width=512


      6.1.5.1.5  -  Masked instructions
  ----------------------------------------------------------------------------------------------------------

Detected masked instructions.

Details
Vector registers are partially exploited, which is expected if your loop is irregular or mixes elements of different sizes.

Workaround
If your loop is irregular, try to remove or hoist conditional structures out of your loop. If it mixes elements of different sizes, try to uniformize them.




      6.1.5.1.6  -  Complex instructions
  ----------------------------------------------------------------------------------------------------------

Detected COMPLEX INSTRUCTIONS.


Details
These instructions generate more than one micro-operation and only one of them can be decoded during a cycle and the extra micro-operations increase pressure on execution units.
 - KMOVW: 1 occurrences<<list_path_1_complex_1>>
 - VCOMPRESSPD: 4 occurrences<<list_path_1_complex_2>>
 - VPBROADCASTD: 1 occurrences<<list_path_1_complex_3>>



      6.1.5.1.7  -  Slow data structures access
  ----------------------------------------------------------------------------------------------------------

Detected data structures (typically arrays) that cannot be efficiently read/written

Details
 - Irregular (variable stride) or indirect: 3 occurrence(s)
Non-unit stride (uncontiguous) accesses are not efficiently using data caches


Workaround
Try to remove indirect accesses. If applicable, precompute elements out of the innermost loop.


      6.1.5.1.8  -  Vector unaligned load/store instructions
  ----------------------------------------------------------------------------------------------------------

Detected 4 optimal vector unaligned load/store instructions.


Details
 - VMOVUPD: 4 occurrences<<list_path_1_vec_align_1>>


Workaround
Use vector aligned instructions:
 1) align your arrays on 64 bytes boundaries: replace { void *p = malloc (size); } with { void *p; posix_memalign (&p, 64, size); }.
 2) inform your compiler that your arrays are vector aligned: if array 'foo' is 64 bytes-aligned, define a pointer 'p_foo' as __builtin_assume_aligned (foo, 64) and use it instead of 'foo' in the loop.
<<image_vec_align>>


      6.1.5.1.9  -  Type of elements and instruction set
  ----------------------------------------------------------------------------------------------------------

4 AVX instructions are processing arithmetic or math operations on double precision FP elements in vector mode (four at a time).



      6.1.5.1.10  -  Matching between your loop (in the source code) and the binary loop
  ----------------------------------------------------------------------------------------------------------

The binary loop does not contain any FP arithmetical operations.
The binary loop is loading 130 bytes (16 double precision FP elements).
The binary loop is storing 130 bytes (16 double precision FP elements).







      6.1.6  -  Loop 1481 from exec
  ==========================================================================================================

The loop is defined in /beegfs/hackathon/users/eoseret/qaas_runs_test/179-075-2076/intel/miniqmc/build/miniqmc/src/Particle/Lattice/ParticleBConds3DSoa.h:235-256.

It is main loop of related source loop which is unrolled by 16 (including vectorization).

      6.1.6.1  -  Path 1
  ----------------------------------------------------------------------------------------------------------

68% of peak computational performance is used (16.36 out of 24.00 FLOP per cycle (GFLOPS @ 1GHz))

      6.1.6.1.1  -  Vectorization
  ----------------------------------------------------------------------------------------------------------

Your loop is highly vectorized.
Only 46% of vector register length is used (average across all SSE/AVX instructions).


Details
91% of SSE/AVX instructions are used in vector version (process two or more data elements in vector registers):
 - 40% of SSE/AVX loads are used in vector version.
 - 66% of SSE/AVX instructions that are not load, store, addition, subtraction nor multiply instructions are used in vector version.



      6.1.6.1.2  -  Execution units bottlenecks
  ----------------------------------------------------------------------------------------------------------

Performance is limited by execution of FP multiply or FMA (fused multiply-add) operations (the FP multiply/FMA unit is a bottleneck).

By removing all these bottlenecks, you can lower the cost of an iteration from 44.00 to 35.00 cycles (1.26x speedup).


Workaround
Reduce the number of FP multiply/FMA instructions




      6.1.6.1.3  -  512-bits vectorization
  ----------------------------------------------------------------------------------------------------------

On some x86 processors supporting 512-bits vectorization, compilers are often too conservative and limit vectorization to 256 bits. Performance can then be improved by enforcing 512-bits vectorization, especially with many vectorized and high trip count loops. 512-bits vectorization performance overhead (compared to 256-bits) is generally lower on newer processors.


Workaround
Recompile with -mprefer-vector-width=512


      6.1.6.1.4  -  FMA
  ----------------------------------------------------------------------------------------------------------

Detected 224 FMA (fused multiply-add) operations.
Presence of both ADD/SUB and MUL operations.

Workaround
Try to change order in which elements are evaluated (using parentheses) in arithmetic expressions containing both ADD/SUB and MUL operations to enable your compiler to generate FMA instructions wherever possible.
For instance a + b*c is a valid FMA (MUL then ADD).
However (a+b)* c cannot be translated into an FMA (ADD then MUL).




      6.1.6.1.5  -  Slow data structures access
  ----------------------------------------------------------------------------------------------------------

Detected data structures (typically arrays) that cannot be efficiently read/written

Details
 - Irregular (variable stride) or indirect: 7 occurrence(s)
Non-unit stride (uncontiguous) accesses are not efficiently using data caches


Workaround
Try to remove indirect accesses. If applicable, precompute elements out of the innermost loop.


      6.1.6.1.6  -  Vector unaligned load/store instructions
  ----------------------------------------------------------------------------------------------------------

Detected 28 optimal vector unaligned load/store instructions.


Details
 - VMOVUPD: 28 occurrences<<list_path_1_vec_align_1>>


Workaround
Use vector aligned instructions:
 1) align your arrays on 64 bytes boundaries: replace { void *p = malloc (size); } with { void *p; posix_memalign (&p, 64, size); }.
 2) inform your compiler that your arrays are vector aligned: if array 'foo' is 64 bytes-aligned, define a pointer 'p_foo' as __builtin_assume_aligned (foo, 64) and use it instead of 'foo' in the loop.
<<image_vec_align>>


      6.1.6.1.7  -  Type of elements and instruction set
  ----------------------------------------------------------------------------------------------------------

136 AVX instructions are processing arithmetic or math operations on double precision FP elements in vector mode (four at a time).



      6.1.6.1.8  -  Matching between your loop (in the source code) and the binary loop
  ----------------------------------------------------------------------------------------------------------

The binary loop is composed of 720 FP arithmetical operations:
 - 368: addition or subtraction (224 inside FMA instructions)
 - 336: multiply (224 inside FMA instructions)
 - 16: square root
The binary loop is loading 528 bytes (66 double precision FP elements).
The binary loop is storing 512 bytes (64 double precision FP elements).


      6.1.6.1.9  -  Arithmetic intensity
  ----------------------------------------------------------------------------------------------------------

Arithmetic intensity is 0.69 FP operations per loaded or stored byte.







      6.1.7  -  Loop 401 from exec
  ==========================================================================================================

The loop is defined in /beegfs/hackathon/users/eoseret/qaas_runs_test/179-075-2076/intel/miniqmc/build/miniqmc/src/QMCWaveFunctions/Jastrow/BsplineFunctor.h:291-297.

It is main loop of related source loop which is unrolled by 16 (including vectorization).

      6.1.7.1  -  Path 1
  ----------------------------------------------------------------------------------------------------------

Warnings:
 - The number of fused uops of the instruction [VPCMPNEQD	%YMM3,%YMM10,%K4] is unknown
 - The number of fused uops of the instruction [VPCMPNEQD	%YMM3,%YMM11,%K3] is unknown

0% of peak computational performance is used (0.00 out of 24.00 FLOP per cycle (GFLOPS @ 1GHz))

      6.1.7.1.1  -  Code clean check
  ----------------------------------------------------------------------------------------------------------

Detected a slowdown caused by scalar integer instructions (typically used for address computation).
By removing them, you can lower the cost of an iteration from 77.50 to 72.50 cycles (1.07x speedup).

Workaround
 - Try to reorganize arrays of structures to structures of arrays
 - Consider to permute loops (see vectorization gain report)



      6.1.7.1.2  -  Vectorization
  ----------------------------------------------------------------------------------------------------------

Your loop is partially vectorized.
Only 44% of vector register length is used (average across all SSE/AVX instructions).


Details
86% of SSE/AVX instructions are used in vector version (process two or more data elements in vector registers):
 - 66% of SSE/AVX instructions that are not load, store, addition, subtraction nor multiply instructions are used in vector version.


Workaround
Read the "512-bits vectorization" report at "Potential" confidence level.


      6.1.7.1.3  -  Execution units bottlenecks
  ----------------------------------------------------------------------------------------------------------

Found no such bottlenecks but see expert reports for more complex bottlenecks.




      6.1.7.1.4  -  512-bits vectorization
  ----------------------------------------------------------------------------------------------------------

On some x86 processors supporting 512-bits vectorization, compilers are often too conservative and limit vectorization to 256 bits. Performance can then be improved by enforcing 512-bits vectorization, especially with many vectorized and high trip count loops. 512-bits vectorization performance overhead (compared to 256-bits) is generally lower on newer processors.


Workaround
Recompile with -mprefer-vector-width=512


      6.1.7.1.5  -  Masked instructions
  ----------------------------------------------------------------------------------------------------------

Detected masked instructions.

Details
Vector registers are partially exploited, which is expected if your loop is irregular or mixes elements of different sizes.

Workaround
If your loop is irregular, try to remove or hoist conditional structures out of your loop. If it mixes elements of different sizes, try to uniformize them.




      6.1.7.1.6  -  Complex instructions
  ----------------------------------------------------------------------------------------------------------

Detected COMPLEX INSTRUCTIONS.


Details
These instructions generate more than one micro-operation and only one of them can be decoded during a cycle and the extra micro-operations increase pressure on execution units.
 - VCOMPRESSPD: 4 occurrences<<list_path_1_complex_1>>
 - VPBROADCASTD: 2 occurrences<<list_path_1_complex_2>>
 - VPCOMPRESSD: 2 occurrences<<list_path_1_complex_3>>



      6.1.7.1.7  -  Slow data structures access
  ----------------------------------------------------------------------------------------------------------

Detected data structures (typically arrays) that cannot be efficiently read/written

Details
 - Irregular (variable stride) or indirect: 5 occurrence(s)
Non-unit stride (uncontiguous) accesses are not efficiently using data caches


Workaround
Try to remove indirect accesses. If applicable, precompute elements out of the innermost loop.


      6.1.7.1.8  -  Vector unaligned load/store instructions
  ----------------------------------------------------------------------------------------------------------

Detected 4 optimal vector unaligned load/store instructions.


Details
 - VMOVUPD: 4 occurrences<<list_path_1_vec_align_1>>


Workaround
Use vector aligned instructions:
 1) align your arrays on 64 bytes boundaries: replace { void *p = malloc (size); } with { void *p; posix_memalign (&p, 64, size); }.
 2) inform your compiler that your arrays are vector aligned: if array 'foo' is 64 bytes-aligned, define a pointer 'p_foo' as __builtin_assume_aligned (foo, 64) and use it instead of 'foo' in the loop.
<<image_vec_align>>


      6.1.7.1.9  -  Type of elements and instruction set
  ----------------------------------------------------------------------------------------------------------

4 AVX instructions are processing arithmetic or math operations on double precision FP elements in vector mode (four at a time).



      6.1.7.1.10  -  Matching between your loop (in the source code) and the binary loop
  ----------------------------------------------------------------------------------------------------------

The binary loop does not contain any FP arithmetical operations.
The binary loop is loading 128 bytes (16 double precision FP elements).
The binary loop is storing 192 bytes (24 double precision FP elements).







      6.1.8  -  Loop 1124 from exec
  ==========================================================================================================

The loop is defined in:
 - /beegfs/hackathon/users/eoseret/qaas_runs_test/179-075-2076/intel/miniqmc/build/miniqmc/src/Platforms/CPU/SIMD/inner_product.hpp:82-83
 - /beegfs/hackathon/users/eoseret/qaas_runs_test/179-075-2076/intel/miniqmc/build/miniqmc/src/QMCWaveFunctions/DiracDeterminantRef.cpp:157
 - /beegfs/hackathon/users/eoseret/qaas_runs_test/179-075-2076/intel/miniqmc/build/miniqmc/src/Numerics/PETE/OperatorTags.h:63


It is main loop of related source loop which is unrolled by 2 (including vectorization).

      6.1.8.1  -  Path 1
  ----------------------------------------------------------------------------------------------------------

16% of peak computational performance is used (4.00 out of 24.00 FLOP per cycle (GFLOPS @ 1GHz))

      6.1.8.1.1  -  Vectorization
  ----------------------------------------------------------------------------------------------------------

Your loop is partially vectorized.
Only 25% of vector register length is used (average across all SSE/AVX instructions).


Details
81% of SSE/AVX instructions are used in vector version (process two or more data elements in vector registers):
 - 33% of SSE/AVX instructions that are not load, store, addition, subtraction nor multiply instructions are used in vector version.


Workaround
Read the "512-bits vectorization" report at "Potential" confidence level.


      6.1.8.1.2  -  Execution units bottlenecks
  ----------------------------------------------------------------------------------------------------------

Found no such bottlenecks but see expert reports for more complex bottlenecks.




      6.1.8.1.3  -  512-bits vectorization
  ----------------------------------------------------------------------------------------------------------

On some x86 processors supporting 512-bits vectorization, compilers are often too conservative and limit vectorization to 256 bits. Performance can then be improved by enforcing 512-bits vectorization, especially with many vectorized and high trip count loops. 512-bits vectorization performance overhead (compared to 256-bits) is generally lower on newer processors.


Workaround
Recompile with -mprefer-vector-width=512


      6.1.8.1.4  -  Masked instructions
  ----------------------------------------------------------------------------------------------------------

Detected masked instructions.

Details
Vector registers are partially exploited, which is expected if your loop is irregular or mixes elements of different sizes.

Workaround
If your loop is irregular, try to remove or hoist conditional structures out of your loop. If it mixes elements of different sizes, try to uniformize them.


      6.1.8.1.5  -  FMA
  ----------------------------------------------------------------------------------------------------------

Detected 8 FMA (fused multiply-add) operations.




      6.1.8.1.6  -  Vector unaligned load/store instructions
  ----------------------------------------------------------------------------------------------------------

Detected 1 optimal vector unaligned load/store instructions.


Details
 - VMOVUPD: 1 occurrences<<list_path_1_vec_align_1>>


Workaround
Use vector aligned instructions:
 1) align your arrays on 64 bytes boundaries: replace { void *p = malloc (size); } with { void *p; posix_memalign (&p, 64, size); }.
 2) inform your compiler that your arrays are vector aligned: if array 'foo' is 64 bytes-aligned, define a pointer 'p_foo' as __builtin_assume_aligned (foo, 64) and use it instead of 'foo' in the loop.
<<image_vec_align>>


      6.1.8.1.7  -  Type of elements and instruction set
  ----------------------------------------------------------------------------------------------------------

4 SSE or AVX instructions are processing arithmetic or math operations on double precision FP elements in vector mode (two at a time).



      6.1.8.1.8  -  Matching between your loop (in the source code) and the binary loop
  ----------------------------------------------------------------------------------------------------------

The binary loop is composed of 16 FP arithmetical operations:
 - 8: addition or subtraction (all inside FMA instructions)
 - 8: multiply (all inside FMA instructions)
The binary loop is loading 96 bytes (12 double precision FP elements).


      6.1.8.1.9  -  Arithmetic intensity
  ----------------------------------------------------------------------------------------------------------

Arithmetic intensity is 0.17 FP operations per loaded or stored byte.







      6.1.9  -  Loop 432 from exec
  ==========================================================================================================

The loop is defined in /beegfs/hackathon/users/eoseret/qaas_runs_test/179-075-2076/intel/miniqmc/build/miniqmc/src/QMCWaveFunctions/Jastrow/TwoBodyJastrowRef.h:342-347.

It is main loop of related source loop which is unrolled by 16 (including vectorization).

      6.1.9.1  -  Path 1
  ----------------------------------------------------------------------------------------------------------

33% of peak computational performance is used (8.00 out of 24.00 FLOP per cycle (GFLOPS @ 1GHz))

      6.1.9.1.1  -  Code clean check
  ----------------------------------------------------------------------------------------------------------

Detected a slowdown caused by scalar integer instructions (typically used for address computation).
By removing them, you can lower the cost of an iteration from 10.00 to 8.00 cycles (1.25x speedup).

Workaround
 - Try to reorganize arrays of structures to structures of arrays
 - Consider to permute loops (see vectorization gain report)



      6.1.9.1.2  -  Vectorization
  ----------------------------------------------------------------------------------------------------------

Your loop is vectorized, but using only 256 out of 512 bits (AVX/AVX2 instructions on AVX-512 processors).
<<image_4x64_512>>

Details
All SSE/AVX instructions are used in vector version (process two or more data elements in vector registers).


Workaround
Read the "512-bits vectorization" report at "Potential" confidence level.


      6.1.9.1.3  -  Execution units bottlenecks
  ----------------------------------------------------------------------------------------------------------

Performance is limited by:
 - reading data from caches/RAM (load units are a bottleneck)
 - writing data to caches/RAM (the store unit is a bottleneck)

By removing all these bottlenecks, you can lower the cost of an iteration from 10.00 to 7.50 cycles (1.33x speedup).


Workaround
 - Read less array elements
 - Write less array elements
 - Provide more information to your compiler:
  * hardcode the bounds of the corresponding 'for' loop





      6.1.9.1.4  -  512-bits vectorization
  ----------------------------------------------------------------------------------------------------------

On some x86 processors supporting 512-bits vectorization, compilers are often too conservative and limit vectorization to 256 bits. Performance can then be improved by enforcing 512-bits vectorization, especially with many vectorized and high trip count loops. 512-bits vectorization performance overhead (compared to 256-bits) is generally lower on newer processors.


Workaround
Recompile with -mprefer-vector-width=512


      6.1.9.1.5  -  FMA
  ----------------------------------------------------------------------------------------------------------

Detected 16 FMA (fused multiply-add) operations.
Presence of both ADD/SUB and MUL operations.

Workaround
Try to change order in which elements are evaluated (using parentheses) in arithmetic expressions containing both ADD/SUB and MUL operations to enable your compiler to generate FMA instructions wherever possible.
For instance a + b*c is a valid FMA (MUL then ADD).
However (a+b)* c cannot be translated into an FMA (ADD then MUL).




      6.1.9.1.6  -  Complex instructions
  ----------------------------------------------------------------------------------------------------------

Detected COMPLEX INSTRUCTIONS.


Details
These instructions generate more than one micro-operation and only one of them can be decoded during a cycle and the extra micro-operations increase pressure on execution units.
 - LEA: 6 occurrences<<list_path_1_complex_1>>



      6.1.9.1.7  -  Slow data structures access
  ----------------------------------------------------------------------------------------------------------

Detected data structures (typically arrays) that cannot be efficiently read/written

Details
 - Constant non-unit stride: 2 occurrence(s)
Non-unit stride (uncontiguous) accesses are not efficiently using data caches


Workaround
 - Try to reorganize arrays of structures to structures of arrays
 - Consider to permute loops (see vectorization gain report)



      6.1.9.1.8  -  Vector unaligned load/store instructions
  ----------------------------------------------------------------------------------------------------------

Detected 12 optimal vector unaligned load/store instructions.


Details
 - VMOVUPD: 12 occurrences<<list_path_1_vec_align_1>>


Workaround
Use vector aligned instructions:
 1) align your arrays on 64 bytes boundaries: replace { void *p = malloc (size); } with { void *p; posix_memalign (&p, 64, size); }.
 2) inform your compiler that your arrays are vector aligned: if array 'foo' is 64 bytes-aligned, define a pointer 'p_foo' as __builtin_assume_aligned (foo, 64) and use it instead of 'foo' in the loop.
<<image_vec_align>>


      6.1.9.1.9  -  Type of elements and instruction set
  ----------------------------------------------------------------------------------------------------------

16 AVX instructions are processing arithmetic or math operations on double precision FP elements in vector mode (four at a time).



      6.1.9.1.10  -  Matching between your loop (in the source code) and the binary loop
  ----------------------------------------------------------------------------------------------------------

The binary loop is composed of 80 FP arithmetical operations:
 - 48: addition or subtraction (16 inside FMA instructions)
 - 32: multiply (16 inside FMA instructions)
The binary loop is loading 640 bytes (80 double precision FP elements).
The binary loop is storing 128 bytes (16 double precision FP elements).


      6.1.9.1.11  -  Arithmetic intensity
  ----------------------------------------------------------------------------------------------------------

Arithmetic intensity is 0.10 FP operations per loaded or stored byte.







      6.1.10  -  Loop 1008 from exec
  ==========================================================================================================

The loop is defined in:
 - /beegfs/hackathon/users/eoseret/qaas_runs_test/179-075-2076/intel/miniqmc/build/miniqmc/src/QMCWaveFunctions/einspline_spo_ref.hpp:223-227
 - /usr/lib/gcc/x86_64-redhat-linux/11/../../../../include/c++/11/bits/stl_vector.h:1046
 - /usr/lib/gcc/x86_64-redhat-linux/11/../../../../include/c++/11/bits/stl_algobase.h:235
 - /beegfs/hackathon/users/eoseret/qaas_runs_test/179-075-2076/intel/miniqmc/build/miniqmc/src/Numerics/OhmmsPETE/OhmmsVector.h:223
 - /beegfs/hackathon/users/eoseret/qaas_runs_test/179-075-2076/intel/miniqmc/build/miniqmc/src/Numerics/OhmmsPETE/VectorSoAContainer.h:231,271
 - /beegfs/hackathon/users/eoseret/qaas_runs_test/179-075-2076/intel/miniqmc/build/miniqmc/src/Numerics/OhmmsPETE/TinyVector.h:145


The related source loop is not unrolled or unrolled with no peel/tail loop.

      6.1.10.1  -  Path 1
  ----------------------------------------------------------------------------------------------------------

0% of peak computational performance is used (0.00 out of 48.00 FLOP per cycle (GFLOPS @ 1GHz))

      6.1.10.1.1  -  Code clean check
  ----------------------------------------------------------------------------------------------------------

Detected a slowdown caused by scalar integer instructions (typically used for address computation).
By removing them, you can lower the cost of an iteration from 7.67 to 4.00 cycles (1.92x speedup).

Workaround
 - Try to reorganize arrays of structures to structures of arrays
 - Consider to permute loops (see vectorization gain report)



      6.1.10.1.2  -  Vectorization
  ----------------------------------------------------------------------------------------------------------

Your loop is poorly vectorized.
Only 13% of vector register length is used (average across all SSE/AVX instructions).
By fully vectorizing your loop, you can lower the cost of an iteration from 7.67 to 1.60 cycles (4.78x speedup).

Details
20% of SSE/AVX instructions are used in vector version (process two or more data elements in vector registers):
 - 20% of SSE/AVX loads are used in vector version.
 - 25% of SSE/AVX stores are used in vector version.
 - 0% of SSE/AVX instructions that are not load, store, addition, subtraction nor multiply instructions are used in vector version.
Since your execution units are vector units, only a fully vectorized loop can use their full power.


Workaround
 - Try another compiler or update/tune your current one:
  * recompile with ffast-math (included in Ofast) to extend loop vectorization to FP reductions.
 - Remove inter-iterations dependences from your loop and make it unit-stride:
  * If your arrays have 2 or more dimensions, check whether elements are accessed contiguously and, otherwise, try to permute loops accordingly:
C storage order is row-major: for(i) for(j) a[j][i] = b[j][i]; (slow, non stride 1) => for(i) for(j) a[i][j] = b[i][j]; (fast, stride 1)<<image_row_maj>>
  * If your loop streams arrays of structures (AoS), try to use structures of arrays instead (SoA):
for(i) a[i].x = b[i].x; (slow, non stride 1) => for(i) a.x[i] = b.x[i]; (fast, stride 1)



      6.1.10.1.3  -  Execution units bottlenecks
  ----------------------------------------------------------------------------------------------------------

Performance is limited by:
 - reading data from caches/RAM (load units are a bottleneck)
 - writing data to caches/RAM (the store unit is a bottleneck)

By removing all these bottlenecks, you can lower the cost of an iteration from 7.67 to 6.17 cycles (1.24x speedup).


Workaround
 - Read less array elements
 - Write less array elements
 - Provide more information to your compiler:
  * hardcode the bounds of the corresponding 'for' loop




No data for this section



      6.1.10.1.4  -  Complex instructions
  ----------------------------------------------------------------------------------------------------------

Detected COMPLEX INSTRUCTIONS.


Details
These instructions generate more than one micro-operation and only one of them can be decoded during a cycle and the extra micro-operations increase pressure on execution units.
 - LEA: 1 occurrences<<list_path_1_complex_1>>



      6.1.10.1.5  -  Slow data structures access
  ----------------------------------------------------------------------------------------------------------

Detected data structures (typically arrays) that cannot be efficiently read/written

Details
 - Constant unknown stride: 4 occurrence(s)
Non-unit stride (uncontiguous) accesses are not efficiently using data caches


Workaround
 - Try to reorganize arrays of structures to structures of arrays
 - Consider to permute loops (see vectorization gain report)



      6.1.10.1.6  -  Type of elements and instruction set
  ----------------------------------------------------------------------------------------------------------

No instructions are processing arithmetic or math operations on FP elements. This loop is probably writing/copying data or processing integer elements.


      6.1.10.1.7  -  Matching between your loop (in the source code) and the binary loop
  ----------------------------------------------------------------------------------------------------------

The binary loop does not contain any FP arithmetical operations.
The binary loop is loading 132 bytes.
The binary loop is storing 40 bytes.


      6.1.10.1.8  -  Unroll opportunity
  ----------------------------------------------------------------------------------------------------------

Loop is data access bound.

Workaround
Unroll your loop if trip count is significantly higher than target unroll factor and if some data references are common to consecutive iterations. This can be done manually. Or with the unroll (resp. unroll_and_jam) directive on top of the inner (resp. surrounding) loop. You can enforce an unroll factor: #pragma unroll_and_jam N, unroll_and_jam(N), unroll N or unroll(N)





[MAQAO] Info: STOP THE REPORT GENERATION
[MAQAO] Info: 
[MAQAO] Info: If your application produces files, they can be found in directory "/beegfs/hackathon/users/eoseret/qaas_runs_test/179-075-2076/intel/miniqmc/run/oneview_runs/compilers/icx_3/oneview_run_1790771582"
[MAQAO] Info: 
