Problem with USER-CUDA EAM

Dear all,

I cannot use write_restart command or multiple run commands with eam/fs/cuda pair style.
The error seems to be caused by the PairEAMCuda::array2spline function. I changed

memory->create(frho_spline,nfrho,nrho+1,7,"pair:frho");

to

memory->create(frho_spline,nfrho,nrho+1,8,"pair:frho");

Then write_restart works but multiple run commands still won't work giving the error
Cuda error: Cuda_PairEAMCuda: pre pair Kernel 1 problems before kernel invocation in file 'pair_eam_cuda.cu' in line 259 : unspecified driver error.

The minimal script to reproduce the problem is attached.

Regards,
Vasily

al1.mendelev.eam.fs (739 KB)

in.test.gpu (313 Bytes)

This is something Christian will have to look at.

Steve

Hi

thanks for the bugreport. The change of the 7 to 8 is a very obvious bug (considering that just a few lines after that create element with index 7 is actually accessed) and I am surprised that it doesnt crash right in the beginning.

Doing a second run produces an error for me as well. Have to look into that, I dont see anything obvious right now. I'll let you know as soon as I have a fix.

Ah and your reproduce case doesnt actually work, one is not allowed to read a restart file after the box was created. But deleting that line solves that problem (but still leaves the crash when starting the second run).

Its actually a strange error message: "unknown error" - how very helpful from the CUDA driver.

Cheers
Christian

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