I am doing a relaxation calculation using gpu in a system of 800,000 atoms. Sometimes, I get the following error. Can you please tell me the cause and how to fix it?
Cuda driver error 700 in call at file 'geryon/nvd_timer.h' in line 76.
application called MPI_Abort(MPI_COMM_WORLD, -1) - process 0
In short, it has been solved by changing different versions of CUDA and ARCH code. If you want to use 2080, you must choose cuda10.2 with -DGPU_ARCH=sm_70. II have 3090 and 2080 on the HPC. I thought it was downward compatible but it is not. I googled it that someone says that 2080 does not support cuda11.4.