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SCPC data not present on GPU for varaible CVD
Posted: Fri Nov 08, 2024 9:30 am
by thibautvery
Hello,
During a SCPC computation with VASP 6.4.3 compiled with:
- makefile.include.nvhpc_ompi_mkl_omp_acc
- nvidia-compilers/24.3
- cuda/12.2.0
- openmpi/4.1.5-cuda
- intel-mkl/2020.4
we have a GPU error:
FATAL ERROR: data in PRESENT clause was not found on device 4: name=cvd(:) host:0x1fc2e520
file:vasp.6.4.3_v100/build/std/pot.f90 pothar line:1357
I quickly checked the code and I did not find a place where the variable CVD have been copied or created on GPU.
Best regards
Re: SCPC data not present on GPU for varaible CVD
Posted: Fri Nov 08, 2024 9:44 am
by henrique_miranda
Thank you for your bug report, we will look into it!
Re: SCPC data not present on GPU for varaible CVD
Posted: Mon Nov 18, 2024 3:31 pm
by thibautvery
Do you know if a previous version of the code is working?
We have a user who needs it.
Re: SCPC data not present on GPU for varaible CVD
Posted: Mon Nov 18, 2024 6:12 pm
by henrique_miranda
The easiest solution would be to use a CPU-only version.
That should work without problem.
As for the bug in the GPU version, we will look into it and get back to you ASAP