This shows you the differences between two versions of the page.
| Both sides previous revision Previous revision | |
| software:vasp:caviness [2024-11-12 16:47] – anita | software:vasp:caviness [2024-11-12 16:49] (current) – anita |
|---|
| ====== VASP on Caviness ====== | ====== VASP on Caviness ====== |
| |
| For building VASP version 6, please review [[technical:recipes:vasp-6-darwin| building VASP 6 on Caviness/DARWIN]] documentation. Please see [[https://github.com/jtfrey/vasp-dynamic-mpi-block-patch|VASP: Dynamic MPI_BLOCK patch]] as this patch modifies the source code to dynamically-allocate the four arrays according to the integer-valued VASP_MPI_BLOCK environment variable, with the compiled-in MPI_BLOCK acting as the default. | For building VASP version 6, please review [[technical:recipes:vasp-6-darwin| building VASP 6 on Caviness/DARWIN]] documentation. Please see [[https://github.com/jtfrey/vasp-dynamic-mpi-block-patch|VASP: Dynamic MPI_BLOCK patch]]: a patch to VASP to make MPI_BLOCK configurable via an environment variable. |
| |
| The build procedures with complete example build files for VASP on Caviness have been prepared and copied at ''/opt/shared/vasp'' for baseline builds of 5.3.2 and 5.4.1. You can find the build instructions in the ''README.md'' file for each of the respective directories. | The build procedures with complete example build files for VASP on Caviness have been prepared and copied at ''/opt/shared/vasp'' for baseline builds of 5.3.2 and 5.4.1. You can find the build instructions in the ''README.md'' file for each of the respective directories. |