cuFFT failure in gromacs:gcc-11-cuda-11.4.1:regressiontest-gpucommupd-MPI
Failed job: https://gitlab.com/gromacs/gromacs/-/jobs/2592860556
Mdrun output for complex/orientation-restraints
:
...
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Program: gmx mdrun, version 2023-dev-20220615-b288121
Source file: src/gromacs/fft/gpu_3dfft_cufft.cu (line 59)
Fatal error:
cufftPlanMany R2C plan failure (error code 5)
For more information and tips for troubleshooting, please check the GROMACS
website at http://www.gromacs.org/Documentation/Errors
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Probably related to the container update done in !2765 (merged)? @gaurav.garg? Either the installation of NV HPC SDK or just new package versions when rebuilding the container.
Edited by Andrey Alekseenko