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Paths for Software Porting

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

Table 1 Paths for software porting

No.

Software Installation Path

Description

Remarks

1

-

Installation path of each software package required for setting up the basic environment.

See "Paths for Software Porting" in Basic Environment Setup Guide.

2

/opt/compiler

Installation path of the BiSheng Compiler.

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

3

/path/to/HMPI

Installation path of the Hyper MPI.

4

/usr/local/cuda-11.4

Installation path of NVIDIA CUDA.

5

/path/to/OPENBLAS

Installation path of OpenBLAS.

6

/path/to/FFTW

Installation path of FFTW.

7

/path/to/CMAKE

Installation path of CMake.

8

/path/to/GROMACS

Installation path of GROMACS.

9

/path/to/CASE

Path of GROMACS test cases.