nblib-setup-test failures
Summary
NbnxmSetupTest.CanCreateNbnxmGPU
test fails in CUDA GPU builds.
Exact steps to reproduce
Using current main branch (56e7168c), with a CUDA build run
make check
For developers: Why is this important?
make check
should not fail.
Relevant input files, logs and/or screenshots
[ RUN ] NbnxmSetupTest.CanCreateNbnxmGPU
========= Program hit cudaErrorInvalidValue (error 1) due to "invalid argument" on CUDA API call to cudaFree.
========= Saved host backtrace up to driver entry point at error
========= Host Frame: [0x441356]
========= in /lib/x86_64-linux-gnu/libcuda.so.1
========= Host Frame:cudaFree [0x10c1ffe]
========= in /home/pszilard/projects/gromacs/gromacs-main/build_gcc11_cuda11.8/bin/../lib/libgromacs.so.9
========= Host Frame:/home/pszilard/projects/gromacs/gromacs-main/src/gromacs/gpu_utils/devicebuffer.cuh:111:void freeDeviceBuffer<int*>(int**) [clone .isra.0] [0xe32af3]
========= in /home/pszilard/projects/gromacs/gromacs-main/build_gcc11_cuda11.8/bin/../lib/libgromacs.so.9
========= Host Frame:/home/pszilard/projects/gromacs/gromacs-main/src/gromacs/nbnxm/nbnxm_gpu_data_mgmt.cpp:1174:Nbnxm::gpu_free(NbnxmGpu*) [0xe34dca]
========= in /home/pszilard/projects/gromacs/gromacs-main/build_gcc11_cuda11.8/bin/../lib/libgromacs.so.9
========= Host Frame:/home/pszilard/projects/gromacs/gromacs-main/src/gromacs/nbnxm/nbnxm_setup.cpp:547:nonbonded_verlet_t::~nonbonded_verlet_t() [0x604204]
========= in /home/pszilard/projects/gromacs/gromacs-main/build_gcc11_cuda11.8/bin/../lib/libgromacs.so.9
========= Host Frame:/home/pszilard/projects/gromacs/gromacs-main/api/nblib/tests/nbnxmsetup.cpp:231:nblib::test::(anonymous namespace)::NbnxmSetupTest_CanCreateNbnxmGPU_Test::TestBody() [0x3cfd2]
========= in /home/pszilard/projects/gromacs/gromacs-main/build_gcc11_cuda11.8/bin/nblib-setup-test
========= Host Frame:/home/pszilard/projects/gromacs/gromacs-main/src/external/googletest/googletest/src/gtest.cc:2681:void testing::internal::HandleExceptionsInMethodIfSupported<testing::Test, void>(testing::Test*, void (testing::Test::*)(), char const*) [0x5b4bf]
========= in /home/pszilard/projects/gromacs/gromacs-main/build_gcc11_cuda11.8/bin/../lib/libgtest.so.1.13.0
========= Host Frame:/home/pszilard/projects/gromacs/gromacs-main/src/external/googletest/googletest/src/gtest.cc:2686:testing::Test::Run() [0x4b646]
========= in /home/pszilard/projects/gromacs/gromacs-main/build_gcc11_cuda11.8/bin/../lib/libgtest.so.1.13.0
========= Host Frame:/home/pszilard/projects/gromacs/gromacs-main/src/external/googletest/googletest/src/gtest.cc:2845:testing::TestInfo::Run() [0x4b805]
========= in /home/pszilard/projects/gromacs/gromacs-main/build_gcc11_cuda11.8/bin/../lib/libgtest.so.1.13.0
========= Host Frame:/home/pszilard/projects/gromacs/gromacs-main/src/external/googletest/googletest/src/gtest.cc:2977:testing::TestSuite::Run() [0x4bdd9]
========= in /home/pszilard/projects/gromacs/gromacs-main/build_gcc11_cuda11.8/bin/../lib/libgtest.so.1.13.0
========= Host Frame:/home/pszilard/projects/gromacs/gromacs-main/src/external/googletest/googletest/src/gtest.cc:5891:testing::internal::UnitTestImpl::RunAllTests() [0x5129f]
========= in /home/pszilard/projects/gromacs/gromacs-main/build_gcc11_cuda11.8/bin/../lib/libgtest.so.1.13.0
========= Host Frame:/home/pszilard/projects/gromacs/gromacs-main/src/external/googletest/googletest/src/gtest.cc:2681:bool testing::internal::HandleExceptionsInMethodIfSupported<testing::internal::UnitTestImpl, bool>(testing::internal::UnitTestImpl*, bool (testing::internal::UnitTestImpl::*)(), char const*) [0x5ba87]
========= in /home/pszilard/projects/gromacs/gromacs-main/build_gcc11_cuda11.8/bin/../lib/libgtest.so.1.13.0
========= Host Frame:/home/pszilard/projects/gromacs/gromacs-main/src/external/googletest/googletest/src/gtest.cc:5458:testing::UnitTest::Run() [0x4b8c5]
========= in /home/pszilard/projects/gromacs/gromacs-main/build_gcc11_cuda11.8/bin/../lib/libgtest.so.1.13.0
========= Host Frame:/home/pszilard/projects/gromacs/gromacs-main/src/testutils/unittest_main.cpp:95:main [0x26dd7]
========= in /home/pszilard/projects/gromacs/gromacs-main/build_gcc11_cuda11.8/bin/nblib-setup-test
========= Host Frame:../sysdeps/nptl/libc_start_call_main.h:58:__libc_start_call_main [0x29d90]
========= in /lib/x86_64-linux-gnu/libc.so.6
========= Host Frame:../csu/libc-start.c:379:__libc_start_main [0x29e40]
========= in /lib/x86_64-linux-gnu/libc.so.6
========= Host Frame:_start [0x26ff5]
========= in /home/pszilard/projects/gromacs/gromacs-main/build_gcc11_cuda11.8/bin/nblib-setup-test
=========
-------------------------------------------------------
Program: nblib-setup-test, version 2024-dev-20231011-e2f029baac
Source file: src/gromacs/gpu_utils/devicebuffer.cuh (line 111)
Function: freeDeviceBuffer<int*>(int**)::<lambda()>
Assertion failed:
Condition: stat == cudaSuccess
Freeing of the device buffer failed. CUDA error #1 (cudaErrorInvalidValue):
invalid argument.
For more information and tips for troubleshooting, please check the GROMACS
website at http://www.gromacs.org/Documentation/Errors
-------------------------------------------------------
========= Target application returned an error
========= ERROR SUMMARY: 1 error
Possible fixes
Edited by Szilárd Páll