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Paths for Software Porting

This chapter lists the software installation paths involved in the NWChem software porting.

Table 1 Paths for software porting

No.

Software Installation Path

Description

Remarks

1

/opt/compiler

Installation path of the Kunpeng GCC.

The installation paths provided here are only an example. Shared paths are recommended. Replace the paths used in commands in this document with the actual paths planned during the installation process.

2

/opt/HMPI

Installation path of HMPI.

3

/usr/local/cuda-11.4

Installation path of NVIDIA CUDA.

4

/path/to/nwchem

Installation path of NWChem.

5

/path/to/testcase

Path for storing NWChem test cases.