Add convolution for psi #6432
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Add convolution for psi #6432
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mohanchen
added
Performance
mohanchen
reviewed
Aug 26, 2025
| @@ -16,13 +16,13 @@ template <> | |||
| void FFT_CUDA<float>::setupFFT() | |||
| { | |||
| cufftPlan3d(&c_handle, this->nx, this->ny, this->nz, CUFFT_C2C); | |||
| resmem_cd_op()(this->c_auxr_3d, this->nx * this->ny * this->nz); | |||
| resmem_cd_op()(this->c_auxr_3d, 2*this->nx * this->ny * this->nz); | |||
| } | ||
| template <> | ||
| void FFT_CUDA<double>::setupFFT() | ||
| { | ||
| cufftPlan3d(&z_handle, this->nx, this->ny, this->nz, CUFFT_Z2Z); | ||
| resmem_zd_op()(this->z_auxr_3d, this->nx * this->ny * this->nz); | ||
| resmem_zd_op()(this->z_auxr_3d, 2*this->nx * this->ny * this->nz); |
There was a problem hiding this comment.
The error has been fixed.
|
After discussion with @A-006 , I cannot accept this modifcation, which causes too many new defects. We decide to close this PR. |
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What's changed?
recip2realandreal2recip, improving the performance of the plane-wave basis by approximately 5%.