Brain HPC Nwchem Kernel Execute
brain_hpc_nwchem_kernel_execute
Open in the interactive browser →
Execute command in NWChem shell session
Parameters
| Name | Type | Required | Description |
|---|---|---|---|
input_data |
string | yes | Input data for calculation |
Examples
Example NWChem hpc nwchem kernel execute
Running interactive NWChem commands in an active session
Prompt: “Execute a command in my NWChem session”
brain_hpc_nwchem_kernel_execute(input_data=...)Usage notes
- NWChem HPC module
- Layer 3 Docker container architecture
- GPU acceleration available where supported
AIMDExampleexecutekernelnwchemparallel computingplane wavequantum chemistry