The short answer is "no", for several reasons. I'll try to explain what the issues are:

1. Materials Studio 17 ships with CASTEP 17.1, which is far too old to have any GPU code. The first attempt to port the whole of CASTEP's core code to GPUs was based on 18.1, the public beta-release of academic CASTEP's GPU port was based on 23.1, and we hope that 25.1 will have GPU support -- but please read on, because this isn't the only issue...

2. CASTEP's GPU code only runs on NVIDIA GPUs at present, whereas your computer has an AMD Radeon. In principle CASTEP should also be able to use AMD GPUs, but unfortunately AMD compilers are not mature enough yet to compile CASTEP's Fortran source code correctly for GPUs (although AMD are working on it).

3. Like most DFT packages, CASTEP makes heavy use of 64-bit ("double-precision") maths. Most consumer cards, such as your AMD Radeon R7 430, don't have very good 64-bit performance. The AMD Radeon R7 430 has a theoretical 64-bit peak performance of less than 40 GFLOPs. It also has only 2 GB RAM, so very few CASTEP calculations could run on it anyway.

Compare this to a previous-generation server-grade card, such as NVIDIA A100 which has a theoretical 64-bit peak performance of 9700 GFLOPs, which is over 200 times faster than the Radeon R7, and 40 GB or 80 GB RAM.

Some of these issues were discussed in our first CASTEP-GPU paper

Article Portable acceleration of materials modelling software: CASTE...

Though note that this is the original CASTEP 18.1 work, and the current GPU speed-up is substantially better than reported here!

All the best,

Phil Hasnip

(CASTEP developer)