NMR Chemical Shift Calculations on Parallel Platforms
We present a parallel implementation of our new method to compute the nuclear magnetic resonance (NMR) chemical shift in condensed matter.
MPI on U-Net
A simple protocol is designed and implemented into the ADI layer of the MPICH message passing library to ensure reliability when running on top of unreliable network interfaces …
Slow Fourier Transforms on Fast Microprocessors
The performance of Fast Fourier Transforms (FFT) on the IBM Power2 processor is analyzed.