Dipole-Dipole interaction test failing while using CUDA

spirit-code / spirit

Atomistic Spin Simulation Framework

http://spirit-code.github.io

MIT License

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Dipole-Dipole interaction test failing while using CUDA #584

Closed sumeetkd closed 3 years ago

sumeetkd commented 3 years ago

./ctest.sh runs without errors when running without the CUDA backend installed. After installing the CUDA backend, the test Dipole-Dipole Interaction in test_physics.cpp fails with the following message

Failed DDI-Gradient comparison at i = 0 Gradient (FFT): 0.0143112 0.00954871 0.0188101 Gradient (Direct): 0.00858198 0.00976415 0.0160611

The log file for the failed test is LastTest_with_CUDA_2.1.1.log

MSallermann commented 3 years ago

Hi, thank you for reporting this! I have pushed a fix to the develop branch https://github.com/spirit-code/spirit/commit/c97f00b6bcfad1161c0583f491366013a56b0e80. Can you check it out and see if the problem persists?

sumeetkd commented 3 years ago

./ctest.sh runs without errors now. Thanks for the quick resolution.