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First pass of support for C++ operators #2511

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First pass of support for C++ operators #2511

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This is an initial commit to the experimental branch containing a first pass of work towards operator support in C++

bmhowe23 and others added 5 commits January 13, 2025 08:05
@bmhowe23
Apply LLVM customizations for Python wheel build (NVIDIA#2504)
e246521 
This PR fixes an LLVM discrepancy in our Docker images vs our Python wheels. This should fix NVIDIA#1421 and NVIDIA#1799 for our Python wheels. (The Docker images were already correct.)
@bmhowe23
Make Python CUDA dependencies resolve for arm64, too (NVIDIA#2501)
b6655b6 
See also NVIDIA#1602
@bmhowe23
[ci] Update docker_images jobs to use more CPUs for build (NVIDIA#2505)
a9b50fc
@1tnguyen @schweitzpgi
Enable trajectory simulation for the nvidia target (NVIDIA#2466)
2c0fb3f 
* Docs for trajectory simulation

Signed-off-by: Thien Nguyen <[email protected]>

* Fix spelling and code format

Signed-off-by: Thien Nguyen <[email protected]>

* Update mgpu hash: include fixes for 2434

Signed-off-by: Thien Nguyen <[email protected]>

* Update docs/sphinx/snippets/cpp/using/backends/trajectory.cpp

Co-authored-by: Eric Schweitz <[email protected]>
Signed-off-by: Thien Nguyen <[email protected]>

* Update docs/sphinx/snippets/cpp/using/backends/trajectory.cpp

Co-authored-by: Eric Schweitz <[email protected]>
Signed-off-by: Thien Nguyen <[email protected]>

* Update docs/sphinx/snippets/cpp/using/backends/trajectory_observe.cpp

Co-authored-by: Eric Schweitz <[email protected]>
Signed-off-by: Thien Nguyen <[email protected]>

* Update docs/sphinx/snippets/cpp/using/backends/trajectory_observe.cpp

Co-authored-by: Eric Schweitz <[email protected]>
Signed-off-by: Thien Nguyen <[email protected]>

* Update python/cudaq/runtime/observe.py

Co-authored-by: Eric Schweitz <[email protected]>
Signed-off-by: Thien Nguyen <[email protected]>

---------

Signed-off-by: Thien Nguyen <[email protected]>
Signed-off-by: Thien Nguyen <[email protected]>
Co-authored-by: Eric Schweitz <[email protected]>
@1tnguyen
Make controlled rank a configurable setting (NVIDIA#2446)
742a31d 
For small controlled ops, i.e., singly controlled, expand the gate
matrix and use cutensornetStateApplyTensorOperator.

Add CUDAQ_TENSORNET_CONTROLLED_RANK threshold to determine when cutensornetStateApplyControlledTensorOperator is used.
For MPS, this is fixed at 1 as it cannot handle gate ops with more than
2 qubits.

Add doc for the setting and also remove some stale notes about random
seeds in the docs.

Signed-off-by: Thien Nguyen <[email protected]>
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sacpis
sacpis approved these changes Jan 15, 2025
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LGTM if all tests are running successfully.

@sacpis sacpis force-pushed the dynamics_cpp_operators branch from 2b42628 to 8150d70 Compare January 16, 2025 22:10
1tnguyen and others added 3 commits January 18, 2025 07:14
@1tnguyen
Fix a bug in tensornet backend scratch pad allocation in multi-GPU mo…
9e0b590 
…de (NVIDIA#2516)

* Fix a bug in default init of scratchpad: it must allocate memory after we've set the device

Signed-off-by: Thien Nguyen <[email protected]>

* Add test

Signed-off-by: Thien Nguyen <[email protected]>

* Add a check to prevent multiple allocate calls

Signed-off-by: Thien Nguyen <[email protected]>

---------

Signed-off-by: Thien Nguyen <[email protected]>
@khalatepradnya
[docs] Update the link to Python wheels (NVIDIA#2518)
a87e307 
Signed-off-by: Pradnya Khalate <[email protected]>
@bmhowe23
Follow-up to NVIDIA#2501 - Update Python install instructions (NVIDIA…
c96be85 
…#2519)

Signed-off-by: Ben Howe <[email protected]>
@sacpis sacpis force-pushed the dynamics_cpp_operators branch from 752fed1 to d55814d Compare January 21, 2025 17:11
khalatepradnya and others added 2 commits January 22, 2025 07:54
@khalatepradnya
[quera] Fix C++ frontend behavior (NVIDIA#2528)
7d70b43 
* Fix the behavior of `quera` backend with C++ frontend by showing appropriate error message.
  (Behavior prior to this change - default simulator was invoked)
* Tell nvq++ to generate glue for `quera`
* Simplify libraries - combine 'libcudaq-quera-qpu.so' and 'libcudaq-serverhelper-quera.so' into one.

Signed-off-by: Pradnya Khalate <[email protected]>
@1tnguyen
Update cuquantum-mgpu commit (NVIDIA#2530)
934b8c4 
Changes:

- cuda-quantum/cuquantum-mgpu!36: fix a bug in trajectory simulation

- cuda-quantum/cuquantum-mgpu!37: fix a bug in applyExpPauli: invalid
  value errors when the pauli word is acting on a subset of qubits.

Signed-off-by: Thien Nguyen <[email protected]>
@sacpis sacpis force-pushed the dynamics_cpp_operators branch from 0ebeed5 to b592f8a Compare January 23, 2025 17:42
sacpis and others added 5 commits January 23, 2025 17:53
@sacpis
Upgrading notebook and jupyterlab version (NVIDIA#2524)
7da8635 
* Upgrading notebook version to 7.3.2 from 7.1.3

Signed-off-by: Sachin Pisal <[email protected]>

* updating jupyterlab version to 4.3.4

Signed-off-by: Sachin Pisal <[email protected]>

---------

Signed-off-by: Sachin Pisal <[email protected]>
@khalatepradnya
Follow-up to PR#2528: Make the newly added target test for quera ru…
88f4b75 
…n conditionally (NVIDIA#2532)

Signed-off-by: Pradnya Khalate <[email protected]>
@1tnguyen
Enable multi-GPU for dynamics target (NVIDIA#2509)
19c33af 
* [WIP] dynamics mgmn

Signed-off-by: Thien Nguyen <[email protected]>

* Fix a copy and paste error

Signed-off-by: Thien Nguyen <[email protected]>

* Handle initial state enum

Signed-off-by: Thien Nguyen <[email protected]>

* Update initial state enum example

Signed-off-by: Thien Nguyen <[email protected]>

* Add uniform state init

Signed-off-by: Thien Nguyen <[email protected]>

* Add uniform state init

Signed-off-by: Thien Nguyen <[email protected]>

* Update examples

Signed-off-by: Thien Nguyen <[email protected]>

* Code format

Signed-off-by: Thien Nguyen <[email protected]>

* Spelling

Signed-off-by: Thien Nguyen <[email protected]>

* Add more MPI API to CUDAQ comm plugin interface

Signed-off-by: Thien Nguyen <[email protected]>

* Refactor for dependency isolation

Signed-off-by: Thien Nguyen <[email protected]>

* Code format

Signed-off-by: Thien Nguyen <[email protected]>

* More isolation

Signed-off-by: Thien Nguyen <[email protected]>

* connect cuda-q mpi plugin to cudensitymat

Signed-off-by: Thien Nguyen <[email protected]>

* Fix for CI

Signed-off-by: Thien Nguyen <[email protected]>

* Code format: python

Signed-off-by: Thien Nguyen <[email protected]>

* Support initial state enum for non-dynamics case and add test

Signed-off-by: Thien Nguyen <[email protected]>

* Code tidy up and add docs

Signed-off-by: Thien Nguyen <[email protected]>

* Add MPI tests

Signed-off-by: Thien Nguyen <[email protected]>

* Add a link to the example directory

Signed-off-by: Thien Nguyen <[email protected]>

* Fix a typo

Signed-off-by: Thien Nguyen <[email protected]>

* Address CR: docs and comments edits; refactor to reduce code duplicate

Signed-off-by: Thien Nguyen <[email protected]>

---------

Signed-off-by: Thien Nguyen <[email protected]>
@1tnguyen
[Tensornet] Update observe calculation (NVIDIA#2522)
db48d95 
* Add non path reuse option

Signed-off-by: Thien Nguyen <[email protected]>

* Add docs and test

Signed-off-by: Thien Nguyen <[email protected]>

* Code review: add a note about observe with tensornet and update code comments

Signed-off-by: Thien Nguyen <[email protected]>

---------

Signed-off-by: Thien Nguyen <[email protected]>
@bmhowe23
[ci] Update runners to use -testing suffix for now (NVIDIA#2543)
5ee448d 
Signed-off-by: Ben Howe <[email protected]>
@sacpis sacpis force-pushed the dynamics_cpp_operators branch from 97bd0d6 to 3f00f9f Compare January 25, 2025 19:57
@sacpis sacpis force-pushed the dynamics_cpp_operators branch from bbec3ed to 5b14fad Compare January 28, 2025 00:12
sacpis added 29 commits January 29, 2025 08:29
@sacpis
adding base_operators interface
bdbcf7b 
Signed-off-by: Sachin Pisal <[email protected]>
@sacpis
keeping degrees to match the current implementation
84a7827 
Signed-off-by: Sachin Pisal <[email protected]>
@sacpis
adding base integrator and time stepper
f11612b 
Signed-off-by: Sachin Pisal <[email protected]>
@sacpis
* Adding base test cases for Runge-Kutta stepper and integrator
4912d01 
* Removing base_operator class, as operator_sum will act as a base class

Signed-off-by: Sachin Pisal <[email protected]>
@sacpis
* Adding helpers functionlity
01756b4 
	* Aggregating parameters
	* Extracting documentation
	* Extracting positional and keyword arguments
	* Generating all quantum states for given degrees and dimensions
	* Permuting a given matrix
	* Canonicalizing degrees
* Adding test cases for the above functions
* Formatting

Signed-off-by: Sachin Pisal <[email protected]>
@sacpis
Formatting
ff1a730 
Signed-off-by: Sachin Pisal <[email protected]>
@sacpis
Adding evolution API header
499835e 
Signed-off-by: Sachin Pisal <[email protected]>
@sacpis
Formatting
abb481e 
Signed-off-by: Sachin Pisal <[email protected]>
@sacpis
Replacing Eigen::MatrixXcd with matrix_2
a3f8e7a 
Signed-off-by: Sachin Pisal <[email protected]>
@sacpis
* Adding Rydberg hamiltonian operator
d7850ab 
* Adding unitests for Rydberg hamiltonian operator
* Making evaluate function in scalar_operator const

Signed-off-by: Sachin Pisal <[email protected]>
@sacpis
Adding interface for cudm_helpers
132aeb4 
Signed-off-by: Sachin Pisal <[email protected]>
@sacpis
Changing matrix to operator_sum
9df00af 
Signed-off-by: Sachin Pisal <[email protected]>
@sacpis
cudm_helpers implementation
482b971 
Signed-off-by: Sachin Pisal <[email protected]>
@sacpis
Formatting
34a347f 
Signed-off-by: Sachin Pisal <[email protected]>
@sacpis
* Adding macro for handling error
f6ec93c 
* Using CUDA_C_64F data type for complex

Signed-off-by: Sachin Pisal <[email protected]>
@sacpis
Adding MACRO for error handling
12f5a5e 
Signed-off-by: Sachin Pisal <[email protected]>
@sacpis
Fixing convert_to_cudensitymat_operator as per the cudensitymat APIs
9dc10c9 
Signed-off-by: Sachin Pisal <[email protected]>
@sacpis
Updating CMakeLists and unittests
018edd0 
Signed-off-by: Sachin Pisal <[email protected]>
@sacpis
* Adding vector of cudensitymatElementaryOperator_t to store and destroy
7de3eb7 
  the cudensitymatElementaryOperator_t
* Fetching subspace_extents using elementary_op degrees
* Adding a vector with correct action duality

Signed-off-by: Sachin Pisal <[email protected]>
@sacpis
Refactoring the code
7047cf7 
Signed-off-by: Sachin Pisal <[email protected]>
@sacpis
Fixing the matrix in the unittest and other code in compute_lindblad …
fc075b9 
…apart for temp vector

Signed-off-by: Sachin Pisal <[email protected]>
@sacpis
Adding cudm_state with unittests
5c56c96 
Signed-off-by: Sachin Pisal <[email protected]>
@sacpis
Addign few more unit tests for cudm_state
e5e1fa3 
Signed-off-by: Sachin Pisal <[email protected]>
@sacpis
Adding an enum with initial quantum state and initilize_state based o…
8b5569b 
…n InitialStateArgT

Signed-off-by: Sachin Pisal <[email protected]>
@sacpis
Fixing spelling
ee4988c 
Signed-off-by: Sachin Pisal <[email protected]>
@sacpis
* Renaming cudm_mat_state -> cudm_state
ae2d84a 
* Adding create_initial_state method to create initial state based on
  the passed InitialStateArgT

Signed-off-by: Sachin Pisal <[email protected]>
@sacpis
Exposing state's rawData to be used in the stepper
d109072 
Signed-off-by: Sachin Pisal <[email protected]>
@sacpis
Adding cudm_time_stepper with unittests
1cac3ef 
Signed-off-by: Sachin Pisal <[email protected]>
@sacpis
Refactoring time_stepper compute method to align with cuquantum workflow
337fa80 
Signed-off-by: Sachin Pisal <[email protected]>
@sacpis sacpis force-pushed the dynamics_cpp_operators branch from 5169445 to 337fa80 Compare January 30, 2025 00:01
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@sacpis sacpis sacpis approved these changes

@bettinaheim bettinaheim Awaiting requested review from bettinaheim bettinaheim is a code owner

@1tnguyen 1tnguyen Awaiting requested review from 1tnguyen 1tnguyen is a code owner

@bmhowe23 bmhowe23 Awaiting requested review from bmhowe23 bmhowe23 is a code owner

@schweitzpgi schweitzpgi Awaiting requested review from schweitzpgi schweitzpgi is a code owner

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@anthony-santana @sacpis @bmhowe23 @1tnguyen @khalatepradnya @Omar-ORCA @cuda-quantum-bot