Move compilation of CUDA code to NVRTC #131

nickjbrowning · 2024-07-30T10:19:35Z

No description provided.

github-actions · 2024-07-30T10:53:43Z

Here is a pre-built version of the code in this pull request: wheels.zip, you can install it locally by unzipping wheels.zip and using pip to install the file matching your system

…nvrtc

nickjbrowning · 2024-10-11T19:01:26Z

I also see some compilation warnings:

      In file included from /home/filippo/code/sphericart/sphericart-jax/sphericart/src/cuda_base.cpp:4:
      /home/filippo/code/sphericart/sphericart-jax/sphericart/include/cuda_cache.hpp: In member function ‘void CachedKernel::checkAndAdjustSharedMem(int)’:
      /home/filippo/code/sphericart/sphericart-jax/sphericart/include/cuda_cache.hpp:183:22: warning: unused variable ‘res’ [-Wunused-variable]
        183 |             CUresult res = driver.cuCtxGetDevice(&cuDevice);
            |                      ^~~
      /home/filippo/code/sphericart/sphericart-jax/sphericart/src/cuda_base.cpp: In function ‘size_t total_buffer_size(size_t, size_t, size_t, size_t, bool, bool)’:
      /home/filippo/code/sphericart/sphericart-jax/sphericart/src/cuda_base.cpp:22:12: warning: unused parameter ‘GRID_DIM_X’ [-Wunused-parameter]
         22 |     size_t GRID_DIM_X,
            |     ~~~~~~~^~~~~~~~~~

this should be fixed now.

.clang-format

Luthaf · 2024-10-14T14:16:32Z

sphericart-jax/src/sphericart_jax_cuda.cpp

+    static CacheMapCUDA<C, T> sph_cache;
+    static std::mutex cache_mutex;
+
+    // Check if instance exists in cache, if not create and store it


@frostedoyster should we purge the instances after some point? Or do we let this map grow unbounded? (This would be for a separate PR!)

sphericart-torch/python/tests/test_autograd.py

sphericart/CMakeLists.txt

sphericart/include/dynamic_cuda.hpp

sphericart/src/sphericart_cuda.cpp

sphericart/include/dynamic_cuda.hpp

sphericart/src/sphericart_cuda.cpp

Luthaf · 2024-10-14T14:37:59Z

tox.ini

+    # Install this one manually. Listing it in the deps list above does not install jaxlib.
+    # Note: jax[cuda12] is not available on Windows and MacOS.
+    bash -c 'command -v nvcc && python -m pip install -U "jax[cuda12]" -f https://storage.googleapis.com/jax-releases/jax_cuda_releases.html || python -m pip install -U jax[cpu]'
+


Do we really need the CUDA version of JAX to run the examples?

I don't see the immediate downside and it does allow for catching more bugs on the CSCS CI

Without this, it won't run the cuda code through jax, and we woul have indeed missed the bugs from last week

But there is a separate test section above which is already using cuda, this is for the examples. If there is stuff in there that acts like a test, we should maybe move it to the tests instead.

But this is fine for now, we can revisit later if this becomes a problem.

Co-authored-by: Guillaume Fraux <[email protected]>

…nvrtc

Luthaf · 2024-10-16T14:04:43Z

sphericart/src/sphericart_cuda.cpp

+            "Failed to load libcuda.so. Try running \"find /usr -name libcuda.so\" and "
+            "appending the directory to your $LD_LIBRARY_PATH environment variable."
+        );


OK, nice that this is now the only place with an error mesage! Could it be updated to not reference /usr since libcuda can be elsewhere? This was already done on the other messages but these fell through!

I've updated it, do you agree with the new message?

yes, looks a lot better!

Luthaf

Thanks a lot for your work @nickjbrowning!

nickjbrowning added 5 commits July 30, 2024 12:19

NVRTC support.

9a0a53c

added stream back in.

04c9a0c

caching was creating issues...

9ce24b6

fixed stub.

8dc3734

fixed cuda stubs.

5c22c89

nickjbrowning and others added 24 commits July 30, 2024 13:27

linting.

8d2742a

update with jittify

9a21479

added some simple temporary tests

3e8afce

update

4679794

x

2d22541

backwards is broken...

11ac20d

fixed backwards.

d91dfb0

fixed backwards + smem update.

5e4237b

removfed smem caching in sphericart::cuda class

5fb3c89

basic dynamic loading working, issues with some tests...

a8aeb25

added nvrtcGetErrorString

1b441dc

demangling ifdef.

022efb2

removed some comments.

9b560b1

fixed cuContext issue.

2aec4c1

minor updates to add macros.

53f1525

fixed macro choice

8d65e5d

Merge branch 'main' into nvrtc

45d98d5

fixed linting

11d6977

Fix const conflict

4af48ab

Merge branch 'nvrtc' of https://github.com/lab-cosmo/sphericart into …

d1ce794

…nvrtc

Fix CUDA stubs

ea91723

removed faulty macros

80043f2

formatting

82f8f2d

stubs...

70e5f9c

nickjbrowning and others added 11 commits October 11, 2024 21:18

formatting.

5a578d9

tox update test

f3b3c1f

added in nifty counter to get correct constructor/destructor ordering.

4794894

added dlclose calls back in.

e823f7f

slight mod, same result.

7d3fea6

comment.

eb309f5

formatting.

15850df

removed comment.

1ee85fe

removed sphericart_jax_cuda.cu, added consts

b433b2e

forgot about the stubs again

c2be239

Clean up sphericart-jax-cuda even more

46718ef

Luthaf reviewed Oct 14, 2024

View reviewed changes

Update sphericart/CMakeLists.txt

028b274

Co-authored-by: Guillaume Fraux <[email protected]>

nickjbrowning mentioned this pull request Oct 15, 2024

abi::__cxa_demangle #153

Open

nickjbrowning and others added 9 commits October 15, 2024 13:52

Update sphericart/include/cuda_cache.hpp

2bac526

Co-authored-by: Guillaume Fraux <[email protected]>

Update sphericart/include/dynamic_cuda.hpp

d42a9be

Co-authored-by: Guillaume Fraux <[email protected]>

updates.

9f62d29

Merge branch 'nvrtc' of https://github.com/lab-cosmo/sphericart into …

4afc4cd

…nvrtc

added comments.

c896ff0

more changes to fix review comments.

fc90df4

updated comment on remove_pointer

09709c7

comment update

0ad7f92

typo.

64b1c97

Luthaf reviewed Oct 16, 2024

View reviewed changes

Luthaf approved these changes Oct 17, 2024

View reviewed changes

updated runtime error.

fbcfd92

frostedoyster force-pushed the nvrtc branch from 87e4939 to fbcfd92 Compare October 17, 2024 19:42

frostedoyster merged commit 877370a into main Oct 17, 2024
10 checks passed

frostedoyster deleted the nvrtc branch October 17, 2024 20:14

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Move compilation of CUDA code to NVRTC #131

Move compilation of CUDA code to NVRTC #131

nickjbrowning commented Jul 30, 2024

github-actions bot commented Jul 30, 2024 •

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nickjbrowning commented Oct 11, 2024

Luthaf Oct 14, 2024

Luthaf Oct 14, 2024

frostedoyster Oct 15, 2024

ceriottm Oct 15, 2024

Luthaf Oct 16, 2024

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nickjbrowning Oct 16, 2024

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Move compilation of CUDA code to NVRTC #131

Move compilation of CUDA code to NVRTC #131

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nickjbrowning commented Jul 30, 2024

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nickjbrowning commented Oct 11, 2024

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github-actions bot commented Jul 30, 2024 •

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