ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

First attempt to port the forward FFT in the k-space induce term to the GPU, not working yet

Browse Source
This commit is contained in:
Trung Nguyen
2022-08-23 15:42:05 -05:00
parent 921796a15f
commit f4a90c62c0
8 changed files with 181 additions and 14 deletions
Download Patch File Download Diff File Expand all files Collapse all files

8
lib/gpu/lal_amoeba_ext.cpp
View File

@ -162,12 +162,12 @@ void amoeba_gpu_compute_polar_real(int *host_amtype, int *host_amgroup, double *
eflag_in, vflag_in, eatom, vatom, aewald, felec, off2, tep_ptr);
}
void amoeba_setup_fft(const int size, const int element_type) {
AMOEBAMF.setup_fft(size, element_type);
void amoeba_setup_fft(const int numel, const int element_type) {
AMOEBAMF.setup_fft(numel, element_type);
}
void amoeba_compute_fft1d(void** in, void** out, const int mode) {
AMOEBAMF.compute_fft1d(in, out, mode);
void amoeba_compute_fft1d(void* in, void* out, const int numel, const int mode) {
AMOEBAMF.compute_fft1d(in, out, numel, mode);
}
double amoeba_gpu_bytes() {