JDFTx¶
Description¶
JDFTx is a plane-wave density-functional theory (DFT) code designed to be as easy to develop with as it is easy to use.
Usage: 1) CPU: jdftx
2) B200 GPU: jdftx_gpu or jdftx_gpu-b200
3) L4 GPU: jdftx_gpu-l4
Environment Modules¶
Run module spider jdftx to find out what environment modules are available for this application.
Environment Variables¶
- HPC_JDFTX_DIR - installation directory
- HPC_JDFTX_BIN - executable directory
Categories¶
library, compiler, math