GPU-accelerated BEEF-vdw #7
Description
Does the BEEF-vdw support the GPU-accelerated code?
I tried to use nvcc in cuda-11.0 to compile the code, but failed due to
"error: ‘for’ loop initial declarations are only allowed in C99 mode" ?
Even if I used :
./configure CC=/usr/local/cuda-11.0/bin/nvcc --prefix=$PWD/install CFLAGS='-std=c++11' ,
I still failed.
Could you tell me how to compile the BEEF-vdw with nvcc and make the vasp-gpu can use it ?
Note： I used icc to compile the BEEF-vdw, then added it to the vasp-gpu and vasp-gpu is compiled successfully. But
I run the vasp job with vasp-gpu containing BEEF-vdw, there is a warning: "WARNING: LUSE_VDW=.TRUE. may result in suboptimal
performance with CUDA VASP".